N-methylazepan-3-amine

C7H16N2 — CID 2756577

IUPACN-methylazepan-3-amine
SMILESCNC1CCCCNC1
InChIInChI=1S/C7H16N2/c1-8-7-4-2-3-5-9-6-7/h7-9H,2-6H2,1H3
InChIKeyOROOBNKHDZYDFL-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.35
Rot. Bonds1

About N-methylazepan-3-amine

N-methylazepan-3-amine (PubChem CID 2756577) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-methylazepan-3-amine.

Molecular Properties

Compound NameN-methylazepan-3-amine
PubChem CID2756577
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-methylazepan-3-amine
SMILESCNC1CCCCNC1
InChIInChI=1S/C7H16N2/c1-8-7-4-2-3-5-9-6-7/h7-9H,2-6H2,1H3
InChIKeyOROOBNKHDZYDFL-UHFFFAOYSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylazepan-3-amine?
The IUPAC name of N-methylazepan-3-amine (CID 2756577) is N-methylazepan-3-amine.
What is the SMILES notation for N-methylazepan-3-amine?
The canonical SMILES for N-methylazepan-3-amine is CNC1CCCCNC1.
What is the InChIKey of N-methylazepan-3-amine?
The InChIKey is OROOBNKHDZYDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-8-7-4-2-3-5-9-6-7/h7-9H,2-6H2,1H3.
What are the key properties of N-methylazepan-3-amine?
N-methylazepan-3-amine has a molecular weight of 128.22 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylazepan-3-amine is sourced from PubChem (CID 2756577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).