(3-methyl-4H-azepin-5-yl)methanamine

C8H12N2 — CID 143898415

IUPAC(3-methyl-4H-azepin-5-yl)methanamine
SMILESCC1=CN=CC=C(CN)C1
InChIInChI=1S/C8H12N2/c1-7-4-8(5-9)2-3-10-6-7/h2-3,6H,4-5,9H2,1H3
InChIKeyVZCNLEKQYDMBKT-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.25
Rot. Bonds1

About (3-methyl-4H-azepin-5-yl)methanamine

(3-methyl-4H-azepin-5-yl)methanamine (PubChem CID 143898415) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (3-methyl-4H-azepin-5-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-4H-azepin-5-yl)methanamine
PubChem CID143898415
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(3-methyl-4H-azepin-5-yl)methanamine
SMILESCC1=CN=CC=C(CN)C1
InChIInChI=1S/C8H12N2/c1-7-4-8(5-9)2-3-10-6-7/h2-3,6H,4-5,9H2,1H3
InChIKeyVZCNLEKQYDMBKT-UHFFFAOYSA-N
XLogP1.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4H-azepin-5-yl)methanamine?
The IUPAC name of (3-methyl-4H-azepin-5-yl)methanamine (CID 143898415) is (3-methyl-4H-azepin-5-yl)methanamine.
What is the SMILES notation for (3-methyl-4H-azepin-5-yl)methanamine?
The canonical SMILES for (3-methyl-4H-azepin-5-yl)methanamine is CC1=CN=CC=C(CN)C1.
What is the InChIKey of (3-methyl-4H-azepin-5-yl)methanamine?
The InChIKey is VZCNLEKQYDMBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-4-8(5-9)2-3-10-6-7/h2-3,6H,4-5,9H2,1H3.
What are the key properties of (3-methyl-4H-azepin-5-yl)methanamine?
(3-methyl-4H-azepin-5-yl)methanamine has a molecular weight of 136.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4H-azepin-5-yl)methanamine is sourced from PubChem (CID 143898415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).