2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine

C44H60N10 — CID 102524440

IUPAC2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(CCN(CCc2cc(N(C)C)ccn2)Cc2cccc(CN(CCc3cc(N(C)C)ccn3)CCc3cc(N(C)C)ccn3)c2)c1
InChIInChI=1S/C44H60N10/c1-49(2)41-12-20-45-37(29-41)16-24-53(25-17-38-30-42(50(3)4)13-21-46-38)33-35-10-9-11-36(28-35)34-54(26-18-39-31-43(51(5)6)14-22-47-39)27-19-40-32-44(52(7)8)15-23-48-40/h9-15,20-23,28-32H,16-19,24-27,33-34H2,1-8H3
InChIKeyZHACOYJEMLEXBZ-UHFFFAOYSA-N
MW729.03 g/mol
LogP6.11
Rot. Bonds20

About 2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine

2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine (PubChem CID 102524440) has the molecular formula C44H60N10 and a molecular weight of 729.03 g/mol. Its IUPAC name is 2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine
PubChem CID102524440
Molecular FormulaC44H60N10
Molecular Weight729.03 g/mol
Exact Mass728.50
IUPAC Name2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(CCN(CCc2cc(N(C)C)ccn2)Cc2cccc(CN(CCc3cc(N(C)C)ccn3)CCc3cc(N(C)C)ccn3)c2)c1
InChIInChI=1S/C44H60N10/c1-49(2)41-12-20-45-37(29-41)16-24-53(25-17-38-30-42(50(3)4)13-21-46-38)33-35-10-9-11-36(28-35)34-54(26-18-39-31-43(51(5)6)14-22-47-39)27-19-40-32-44(52(7)8)15-23-48-40/h9-15,20-23,28-32H,16-19,24-27,33-34H2,1-8H3
InChIKeyZHACOYJEMLEXBZ-UHFFFAOYSA-N
XLogP6.11
TPSA71.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.03
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-2-propylpyridin-4-amine
CID 154100065
2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine
CID 70895333
2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
CID 154776295
2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 61411722
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 62300674
2-[6-[4-(dimethylamino)-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpyridin-4-amine
CID 11045401
2-[[[4-(dimethylamino)-2-pyridinyl]methyl-[2-[(2-methylphenyl)methylsulfanyl]ethyl]amino]methyl]-N,N-dimethylpyridin-4-amine
CID 122222634
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 70827105
N-benzyl-N-(2-chloroethyl)-2-pyridin-2-ylethanamine;hydrochloride
CID 3053599
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
N-methyl-1-[3-[[methyl(trimethylsilyl)amino]methyl]phenyl]-N-trimethylsilylmethanamine
CID 139747022
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine
CID 167466286

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine?
The IUPAC name of 2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine (CID 102524440) is 2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine is CN(C)c1ccnc(CCN(CCc2cc(N(C)C)ccn2)Cc2cccc(CN(CCc3cc(N(C)C)ccn3)CCc3cc(N(C)C)ccn3)c2)c1.
What is the InChIKey of 2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine?
The InChIKey is ZHACOYJEMLEXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60N10/c1-49(2)41-12-20-45-37(29-41)16-24-53(25-17-38-30-42(50(3)4)13-21-46-38)33-35-10-9-11-36(28-35)34-54(26-18-39-31-43(51(5)6)14-22-47-39)27-19-40-32-44(52(7)8)15-23-48-40/h9-15,20-23,28-32H,16-19,24-27,33-34H2,1-8H3.
What are the key properties of 2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine?
2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine has a molecular weight of 729.03 g/mol, XLogP of 6.11, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[[bis[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]methyl]phenyl]methyl-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]amino]ethyl]-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 102524440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).