3-(2-methylazepan-2-yl)pyridin-4-amine

C12H19N3 — CID 79117193

IUPAC3-(2-methylazepan-2-yl)pyridin-4-amine
SMILESCC1(c2cnccc2N)CCCCCN1
InChIInChI=1S/C12H19N3/c1-12(6-3-2-4-7-15-12)10-9-14-8-5-11(10)13/h5,8-9,15H,2-4,6-7H2,1H3,(H2,13,14)
InChIKeyVNBJOKKYQZQLMK-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.04
Rot. Bonds1

About 3-(2-methylazepan-2-yl)pyridin-4-amine

3-(2-methylazepan-2-yl)pyridin-4-amine (PubChem CID 79117193) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-(2-methylazepan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-(2-methylazepan-2-yl)pyridin-4-amine
PubChem CID79117193
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-(2-methylazepan-2-yl)pyridin-4-amine
SMILESCC1(c2cnccc2N)CCCCCN1
InChIInChI=1S/C12H19N3/c1-12(6-3-2-4-7-15-12)10-9-14-8-5-11(10)13/h5,8-9,15H,2-4,6-7H2,1H3,(H2,13,14)
InChIKeyVNBJOKKYQZQLMK-UHFFFAOYSA-N
XLogP2.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine
CID 66467880
3-(2-cyclopropylpyrrolidin-2-yl)pyridin-4-amine
CID 66467867
2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane
CID 79117249
3-(2-methylpiperidin-2-yl)pyridine
CID 23344429
4-methoxy-5-(2-methylpyrrolidin-2-yl)pyrimidine
CID 82656759
2-(4-methoxy-2-methylphenyl)-2-methylazepane
CID 79118168
2-(2-methylpiperidin-2-yl)pyridine
CID 83529728
2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569400
4-(2-methylazepan-2-yl)phenol
CID 115059442
1-(4-amino-3-pyridinyl)-2-methoxycyclohexan-1-ol
CID 106873633
3-(4-amino-3-pyridinyl)-4,4-dimethylthian-3-ol
CID 79956066
2-methyl-2-phenylpiperidine;hydrochloride
CID 115027708

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylazepan-2-yl)pyridin-4-amine?
The IUPAC name of 3-(2-methylazepan-2-yl)pyridin-4-amine (CID 79117193) is 3-(2-methylazepan-2-yl)pyridin-4-amine.
What is the SMILES notation for 3-(2-methylazepan-2-yl)pyridin-4-amine?
The canonical SMILES for 3-(2-methylazepan-2-yl)pyridin-4-amine is CC1(c2cnccc2N)CCCCCN1.
What is the InChIKey of 3-(2-methylazepan-2-yl)pyridin-4-amine?
The InChIKey is VNBJOKKYQZQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-12(6-3-2-4-7-15-12)10-9-14-8-5-11(10)13/h5,8-9,15H,2-4,6-7H2,1H3,(H2,13,14).
What are the key properties of 3-(2-methylazepan-2-yl)pyridin-4-amine?
3-(2-methylazepan-2-yl)pyridin-4-amine has a molecular weight of 205.31 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylazepan-2-yl)pyridin-4-amine is sourced from PubChem (CID 79117193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).