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

C17H32N4 — CID 102997386

IUPACN'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)c1cc(CNCC(C)C)ccn1
InChIInChI=1S/C17H32N4/c1-6-21(11-7-10-20(4)5)17-12-16(8-9-19-17)14-18-13-15(2)3/h8-9,12,15,18H,6-7,10-11,13-14H2,1-5H3
InChIKeyBPEMMZNPDYDUDI-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.61
Rot. Bonds10

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

N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine (PubChem CID 102997386) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
PubChem CID102997386
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)c1cc(CNCC(C)C)ccn1
InChIInChI=1S/C17H32N4/c1-6-21(11-7-10-20(4)5)17-12-16(8-9-19-17)14-18-13-15(2)3/h8-9,12,15,18H,6-7,10-11,13-14H2,1-5H3
InChIKeyBPEMMZNPDYDUDI-UHFFFAOYSA-N
XLogP2.61
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 63699684
N-ethyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294097
N-methyl-4-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62282252
N-methyl-4-[(2-methylpropylamino)methyl]-N-phenylpyridin-2-amine
CID 62286623
N-cyclopentyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280559
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 115987705
N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340117
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
N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
CID 62284795
[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]methanol
CID 102996028

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine (CID 102997386) is N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine is CCN(CCCN(C)C)c1cc(CNCC(C)C)ccn1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine?
The InChIKey is BPEMMZNPDYDUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-21(11-7-10-20(4)5)17-12-16(8-9-19-17)14-18-13-15(2)3/h8-9,12,15,18H,6-7,10-11,13-14H2,1-5H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 102997386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).