1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine

C18H33N3 — CID 107869311

IUPAC1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine
SMILESCC(C)CCN(CCC(C)C)C(c1cccnc1)C(C)N
InChIInChI=1S/C18H33N3/c1-14(2)8-11-21(12-9-15(3)4)18(16(5)19)17-7-6-10-20-13-17/h6-7,10,13-16,18H,8-9,11-12,19H2,1-5H3
InChIKeyOAWLWYVDVVGPOA-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.86
Rot. Bonds9

About 1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine

1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine (PubChem CID 107869311) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine
PubChem CID107869311
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine
SMILESCC(C)CCN(CCC(C)C)C(c1cccnc1)C(C)N
InChIInChI=1S/C18H33N3/c1-14(2)8-11-21(12-9-15(3)4)18(16(5)19)17-7-6-10-20-13-17/h6-7,10,13-16,18H,8-9,11-12,19H2,1-5H3
InChIKeyOAWLWYVDVVGPOA-UHFFFAOYSA-N
XLogP3.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide
CID 62923105
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 81059160
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
CID 112657794
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
CID 55061112
1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79476253
3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine
CID 55989545
N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 43273458
1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine
CID 102980637
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
3-pyridin-3-ylbutan-1-ol
CID 23506282
2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine (CID 107869311) is 1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine is CC(C)CCN(CCC(C)C)C(c1cccnc1)C(C)N.
What is the InChIKey of 1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine?
The InChIKey is OAWLWYVDVVGPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-14(2)8-11-21(12-9-15(3)4)18(16(5)19)17-7-6-10-20-13-17/h6-7,10,13-16,18H,8-9,11-12,19H2,1-5H3.
What are the key properties of 1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine?
1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine has a molecular weight of 291.48 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine is sourced from PubChem (CID 107869311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).