(1-methylazepan-3-yl)methanamine

C8H18N2 — CID 83904938

IUPAC(1-methylazepan-3-yl)methanamine
SMILESCN1CCCCC(CN)C1
InChIInChI=1S/C8H18N2/c1-10-5-3-2-4-8(6-9)7-10/h8H,2-7,9H2,1H3
InChIKeyQQVUZSSMFQVXJA-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.68
Rot. Bonds1

About (1-methylazepan-3-yl)methanamine

(1-methylazepan-3-yl)methanamine (PubChem CID 83904938) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (1-methylazepan-3-yl)methanamine.

Molecular Properties

Compound Name(1-methylazepan-3-yl)methanamine
PubChem CID83904938
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(1-methylazepan-3-yl)methanamine
SMILESCN1CCCCC(CN)C1
InChIInChI=1S/C8H18N2/c1-10-5-3-2-4-8(6-9)7-10/h8H,2-7,9H2,1H3
InChIKeyQQVUZSSMFQVXJA-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylazepan-3-yl)methanamine?
The IUPAC name of (1-methylazepan-3-yl)methanamine (CID 83904938) is (1-methylazepan-3-yl)methanamine.
What is the SMILES notation for (1-methylazepan-3-yl)methanamine?
The canonical SMILES for (1-methylazepan-3-yl)methanamine is CN1CCCCC(CN)C1.
What is the InChIKey of (1-methylazepan-3-yl)methanamine?
The InChIKey is QQVUZSSMFQVXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-10-5-3-2-4-8(6-9)7-10/h8H,2-7,9H2,1H3.
What are the key properties of (1-methylazepan-3-yl)methanamine?
(1-methylazepan-3-yl)methanamine has a molecular weight of 142.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylazepan-3-yl)methanamine is sourced from PubChem (CID 83904938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).