3-(4-methylazepan-1-yl)pyridin-2-amine

C12H19N3 — CID 104540390

IUPAC3-(4-methylazepan-1-yl)pyridin-2-amine
SMILESCC1CCCN(c2cccnc2N)CC1
InChIInChI=1S/C12H19N3/c1-10-4-3-8-15(9-6-10)11-5-2-7-14-12(11)13/h2,5,7,10H,3-4,6,8-9H2,1H3,(H2,13,14)
InChIKeyYTQXRZNSNUWCBP-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.29
Rot. Bonds1

About 3-(4-methylazepan-1-yl)pyridin-2-amine

3-(4-methylazepan-1-yl)pyridin-2-amine (PubChem CID 104540390) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-(4-methylazepan-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(4-methylazepan-1-yl)pyridin-2-amine
PubChem CID104540390
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-(4-methylazepan-1-yl)pyridin-2-amine
SMILESCC1CCCN(c2cccnc2N)CC1
InChIInChI=1S/C12H19N3/c1-10-4-3-8-15(9-6-10)11-5-2-7-14-12(11)13/h2,5,7,10H,3-4,6,8-9H2,1H3,(H2,13,14)
InChIKeyYTQXRZNSNUWCBP-UHFFFAOYSA-N
XLogP2.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylazepan-1-yl)pyridin-2-amine?
The IUPAC name of 3-(4-methylazepan-1-yl)pyridin-2-amine (CID 104540390) is 3-(4-methylazepan-1-yl)pyridin-2-amine.
What is the SMILES notation for 3-(4-methylazepan-1-yl)pyridin-2-amine?
The canonical SMILES for 3-(4-methylazepan-1-yl)pyridin-2-amine is CC1CCCN(c2cccnc2N)CC1.
What is the InChIKey of 3-(4-methylazepan-1-yl)pyridin-2-amine?
The InChIKey is YTQXRZNSNUWCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-4-3-8-15(9-6-10)11-5-2-7-14-12(11)13/h2,5,7,10H,3-4,6,8-9H2,1H3,(H2,13,14).
What are the key properties of 3-(4-methylazepan-1-yl)pyridin-2-amine?
3-(4-methylazepan-1-yl)pyridin-2-amine has a molecular weight of 205.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylazepan-1-yl)pyridin-2-amine is sourced from PubChem (CID 104540390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).