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

C14H25N3 — CID 115135086

IUPAC3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
SMILESCC(C)(CCN)NCC(C)(C)c1cccnc1
InChIInChI=1S/C14H25N3/c1-13(2,12-6-5-9-16-10-12)11-17-14(3,4)7-8-15/h5-6,9-10,17H,7-8,11,15H2,1-4H3
InChIKeySZJKMZVLQRETFR-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.08
Rot. Bonds6

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

3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine (PubChem CID 115135086) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
PubChem CID115135086
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
SMILESCC(C)(CCN)NCC(C)(C)c1cccnc1
InChIInChI=1S/C14H25N3/c1-13(2,12-6-5-9-16-10-12)11-17-14(3,4)7-8-15/h5-6,9-10,17H,7-8,11,15H2,1-4H3
InChIKeySZJKMZVLQRETFR-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

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Related Compounds

4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115157165
N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115263711
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine
CID 115135085
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544
3-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)propanamide
CID 115154800
2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
CID 146668087
1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine
CID 170754515
4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine
CID 115149949
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115249662
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
3-(2,13,13-trimethyltetradecan-2-yl)pyridine
CID 126684092

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine (CID 115135086) is 3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine is CC(C)(CCN)NCC(C)(C)c1cccnc1.
What is the InChIKey of 3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine?
The InChIKey is SZJKMZVLQRETFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2,12-6-5-9-16-10-12)11-17-14(3,4)7-8-15/h5-6,9-10,17H,7-8,11,15H2,1-4H3.
What are the key properties of 3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine?
3-methyl-3-N-(2-methyl-2-pyridin-3-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-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine is sourced from PubChem (CID 115135086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).