3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine

C14H25N3 — CID 115200944

IUPAC3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine
SMILESCC(C)(N)CCNCC(C)(C)c1ccncc1
InChIInChI=1S/C14H25N3/c1-13(2,12-5-8-16-9-6-12)11-17-10-7-14(3,4)15/h5-6,8-9,17H,7,10-11,15H2,1-4H3
InChIKeyKQYQAZJVRAAYOJ-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.08
Rot. Bonds6

About 3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine

3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine (PubChem CID 115200944) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine
PubChem CID115200944
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine
SMILESCC(C)(N)CCNCC(C)(C)c1ccncc1
InChIInChI=1S/C14H25N3/c1-13(2,12-5-8-16-9-6-12)11-17-10-7-14(3,4)15/h5-6,8-9,17H,7,10-11,15H2,1-4H3
InChIKeyKQYQAZJVRAAYOJ-UHFFFAOYSA-N
XLogP2.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-N-[2-methyl-2-(4-methylphenyl)propyl]butane-1,3-diamine
CID 115200921
N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine
CID 115226456
1-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115200923
4-amino-4-methyl-N-(2-methyl-2-pyridin-4-ylpropyl)pentanamide
CID 115157653
1-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylpentane-1,4-diamine
CID 115205521
2-methyl-N-propan-2-yl-2-pyridin-4-ylpropan-1-amine
CID 80525312
4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine
CID 115205190
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
2-methyl-N-(2-morpholin-3-ylethyl)-2-pyridin-4-ylpropan-1-amine
CID 115239068
N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine
CID 115205088
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid
CID 115220167
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine?
The IUPAC name of 3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine (CID 115200944) is 3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine is CC(C)(N)CCNCC(C)(C)c1ccncc1.
What is the InChIKey of 3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine?
The InChIKey is KQYQAZJVRAAYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2,12-5-8-16-9-6-12)11-17-10-7-14(3,4)15/h5-6,8-9,17H,7,10-11,15H2,1-4H3.
What are the key properties of 3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine?
3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine is sourced from PubChem (CID 115200944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).