2-methylcycloheptan-1-amine

C8H17N — CID 14810387

IUPAC2-methylcycloheptan-1-amine
SMILESCC1CCCCCC1N
InChIInChI=1S/C8H17N/c1-7-5-3-2-4-6-8(7)9/h7-8H,2-6,9H2,1H3
InChIKeyUHTCTILWSRQCBQ-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.91
Rot. Bonds

About 2-methylcycloheptan-1-amine

2-methylcycloheptan-1-amine (PubChem CID 14810387) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-methylcycloheptan-1-amine
PubChem CID14810387
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-methylcycloheptan-1-amine
SMILESCC1CCCCCC1N
InChIInChI=1S/C8H17N/c1-7-5-3-2-4-6-8(7)9/h7-8H,2-6,9H2,1H3
InChIKeyUHTCTILWSRQCBQ-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylcycloheptan-1-amine?
The IUPAC name of 2-methylcycloheptan-1-amine (CID 14810387) is 2-methylcycloheptan-1-amine.
What is the SMILES notation for 2-methylcycloheptan-1-amine?
The canonical SMILES for 2-methylcycloheptan-1-amine is CC1CCCCCC1N.
What is the InChIKey of 2-methylcycloheptan-1-amine?
The InChIKey is UHTCTILWSRQCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7-5-3-2-4-6-8(7)9/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-methylcycloheptan-1-amine?
2-methylcycloheptan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcycloheptan-1-amine is sourced from PubChem (CID 14810387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).