2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine

C17H32N4 — CID 103189382

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine
SMILESCCCNC(C)c1ccc(N(CC)C(C)CN(C)C)cn1
InChIInChI=1S/C17H32N4/c1-7-11-18-15(4)17-10-9-16(12-19-17)21(8-2)14(3)13-20(5)6/h9-10,12,14-15,18H,7-8,11,13H2,1-6H3
InChIKeyXXGCVVKGTYVIIR-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.92
Rot. Bonds9

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine (PubChem CID 103189382) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine
PubChem CID103189382
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine
SMILESCCCNC(C)c1ccc(N(CC)C(C)CN(C)C)cn1
InChIInChI=1S/C17H32N4/c1-7-11-18-15(4)17-10-9-16(12-19-17)21(8-2)14(3)13-20(5)6/h9-10,12,14-15,18H,7-8,11,13H2,1-6H3
InChIKeyXXGCVVKGTYVIIR-UHFFFAOYSA-N
XLogP2.92
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine with MolForge

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Related Compounds

1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol
CID 103189789
2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189419
2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122014
3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile
CID 83122845
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83123154
3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122548
N-methyl-N-(oxolan-3-yl)-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83127173
N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine
CID 83124242
2-[cyclopropyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]ethanol
CID 83122512
(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol
CID 83132626
N,N-dimethyl-5-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 83111053
N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939346

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine (CID 103189382) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine is CCCNC(C)c1ccc(N(CC)C(C)CN(C)C)cn1.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine?
The InChIKey is XXGCVVKGTYVIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-7-11-18-15(4)17-10-9-16(12-19-17)21(8-2)14(3)13-20(5)6/h9-10,12,14-15,18H,7-8,11,13H2,1-6H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine is sourced from PubChem (CID 103189382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).