1-methylazepan-4-amine

C7H16N2 — CID 52911273

IUPAC1-methylazepan-4-amine
SMILESCN1CCCC(N)CC1
InChIInChI=1S/C7H16N2/c1-9-5-2-3-7(8)4-6-9/h7H,2-6,8H2,1H3
InChIKeyLYRZFDLVKYYDOX-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.43
Rot. Bonds

About 1-methylazepan-4-amine

1-methylazepan-4-amine (PubChem CID 52911273) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-methylazepan-4-amine.

Molecular Properties

Compound Name1-methylazepan-4-amine
PubChem CID52911273
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-methylazepan-4-amine
SMILESCN1CCCC(N)CC1
InChIInChI=1S/C7H16N2/c1-9-5-2-3-7(8)4-6-9/h7H,2-6,8H2,1H3
InChIKeyLYRZFDLVKYYDOX-UHFFFAOYSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylazepan-4-amine?
The IUPAC name of 1-methylazepan-4-amine (CID 52911273) is 1-methylazepan-4-amine.
What is the SMILES notation for 1-methylazepan-4-amine?
The canonical SMILES for 1-methylazepan-4-amine is CN1CCCC(N)CC1.
What is the InChIKey of 1-methylazepan-4-amine?
The InChIKey is LYRZFDLVKYYDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-9-5-2-3-7(8)4-6-9/h7H,2-6,8H2,1H3.
What are the key properties of 1-methylazepan-4-amine?
1-methylazepan-4-amine has a molecular weight of 128.22 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepan-4-amine is sourced from PubChem (CID 52911273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).