N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine

C16H30N4 — CID 63699684

IUPACN,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
SMILESCC(C)CNCc1ccnc(N(C)CCCN(C)C)c1
InChIInChI=1S/C16H30N4/c1-14(2)12-17-13-15-7-8-18-16(11-15)20(5)10-6-9-19(3)4/h7-8,11,14,17H,6,9-10,12-13H2,1-5H3
InChIKeyPQOKOKBRDNYEJB-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.22
Rot. Bonds9

About N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine (PubChem CID 63699684) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
PubChem CID63699684
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
SMILESCC(C)CNCc1ccnc(N(C)CCCN(C)C)c1
InChIInChI=1S/C16H30N4/c1-14(2)12-17-13-15-7-8-18-16(11-15)20(5)10-6-9-19(3)4/h7-8,11,14,17H,6,9-10,12-13H2,1-5H3
InChIKeyPQOKOKBRDNYEJB-UHFFFAOYSA-N
XLogP2.22
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 102997386
N-methyl-4-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62282252
N,N,N'-trimethyl-N'-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]propane-1,3-diamine
CID 63699204
N-methyl-4-[(2-methylpropylamino)methyl]-N-phenylpyridin-2-amine
CID 62286623
4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62280087
N-cyclopentyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280559
N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285974
N-ethyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294097
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 115987705
N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62292926
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62284039
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 62281991

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine (CID 63699684) is N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine is CC(C)CNCc1ccnc(N(C)CCCN(C)C)c1.
What is the InChIKey of N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine?
The InChIKey is PQOKOKBRDNYEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-14(2)12-17-13-15-7-8-18-16(11-15)20(5)10-6-9-19(3)4/h7-8,11,14,17H,6,9-10,12-13H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 63699684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).