3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine

C15H27N3 — CID 79484086

IUPAC3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CC(C)C)c1ncccc1CN
InChIInChI=1S/C15H27N3/c1-5-14(6-2)18(11-12(3)4)15-13(10-16)8-7-9-17-15/h7-9,12,14H,5-6,10-11,16H2,1-4H3
InChIKeyNWBWVMFROHPWHA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.19
Rot. Bonds7

About 3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine

3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine (PubChem CID 79484086) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
PubChem CID79484086
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CC(C)C)c1ncccc1CN
InChIInChI=1S/C15H27N3/c1-5-14(6-2)18(11-12(3)4)15-13(10-16)8-7-9-17-15/h7-9,12,14H,5-6,10-11,16H2,1-4H3
InChIKeyNWBWVMFROHPWHA-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 43295307
1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone
CID 114055594
4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine
CID 107542129
3-[2-methylpropyl(pentan-3-yl)amino]pyrazine-2-carbonitrile
CID 79491028
3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine
CID 114057368
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 105389620
2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 114889739
3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 106914478
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62980697
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 54947942
4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849502
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)pyridazin-3-amine
CID 80507390

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine (CID 79484086) is 3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(CC(C)C)c1ncccc1CN.
What is the InChIKey of 3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
The InChIKey is NWBWVMFROHPWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-14(6-2)18(11-12(3)4)15-13(10-16)8-7-9-17-15/h7-9,12,14H,5-6,10-11,16H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine?
3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 79484086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).