1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine

C16H29N3 — CID 106799376

IUPAC1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine
SMILESCCCNC(CC)CCCN(C)Cc1cccnc1
InChIInChI=1S/C16H29N3/c1-4-10-18-16(5-2)9-7-12-19(3)14-15-8-6-11-17-13-15/h6,8,11,13,16,18H,4-5,7,9-10,12,14H2,1-3H3
InChIKeyPEHPLHBRQXFYPF-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.07
Rot. Bonds10

About 1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine

1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine (PubChem CID 106799376) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine
PubChem CID106799376
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine
SMILESCCCNC(CC)CCCN(C)Cc1cccnc1
InChIInChI=1S/C16H29N3/c1-4-10-18-16(5-2)9-7-12-19(3)14-15-8-6-11-17-13-15/h6,8,11,13,16,18H,4-5,7,9-10,12,14H2,1-3H3
InChIKeyPEHPLHBRQXFYPF-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799242
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 62043801
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
N'-methyl-N'-(pyridin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559877
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
N-propyl-1-pyridin-3-ylnon-8-en-2-amine
CID 107009001
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine (CID 106799376) is 1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine is CCCNC(CC)CCCN(C)Cc1cccnc1.
What is the InChIKey of 1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine?
The InChIKey is PEHPLHBRQXFYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-10-18-16(5-2)9-7-12-19(3)14-15-8-6-11-17-13-15/h6,8,11,13,16,18H,4-5,7,9-10,12,14H2,1-3H3.
What are the key properties of 1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine?
1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine has a molecular weight of 263.43 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine is sourced from PubChem (CID 106799376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).