1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine

C13H23N3 — CID 170754515

IUPAC1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine
SMILESCCC(N)CNCC(C)(C)c1cccnc1
InChIInChI=1S/C13H23N3/c1-4-12(14)9-16-10-13(2,3)11-6-5-7-15-8-11/h5-8,12,16H,4,9-10,14H2,1-3H3
InChIKeyBFKBZSFRYBCUIB-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.69
Rot. Bonds6

About 1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine

1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine (PubChem CID 170754515) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine
PubChem CID170754515
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine
SMILESCCC(N)CNCC(C)(C)c1cccnc1
InChIInChI=1S/C13H23N3/c1-4-12(14)9-16-10-13(2,3)11-6-5-7-15-8-11/h5-8,12,16H,4,9-10,14H2,1-3H3
InChIKeyBFKBZSFRYBCUIB-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115263711
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115256328
N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206679
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115249662
3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
CID 115135086
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115186797
2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
CID 146668087
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoic acid
CID 115218841
2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine
CID 115246344
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine?
The IUPAC name of 1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine (CID 170754515) is 1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine?
The canonical SMILES for 1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine is CCC(N)CNCC(C)(C)c1cccnc1.
What is the InChIKey of 1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine?
The InChIKey is BFKBZSFRYBCUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-12(14)9-16-10-13(2,3)11-6-5-7-15-8-11/h5-8,12,16H,4,9-10,14H2,1-3H3.
What are the key properties of 1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine?
1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine is sourced from PubChem (CID 170754515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).