2-ethylcyclohexan-1-amine

C8H17N — CID 544854

IUPAC2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1N
InChIInChI=1S/C8H17N/c1-2-7-5-3-4-6-8(7)9/h7-8H,2-6,9H2,1H3
InChIKeyQOPVVDFTPKWSFL-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.91
Rot. Bonds1

About 2-ethylcyclohexan-1-amine

2-ethylcyclohexan-1-amine (PubChem CID 544854) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-ethylcyclohexan-1-amine
PubChem CID544854
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1N
InChIInChI=1S/C8H17N/c1-2-7-5-3-4-6-8(7)9/h7-8H,2-6,9H2,1H3
InChIKeyQOPVVDFTPKWSFL-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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-ethylcyclohexan-1-amine?
The IUPAC name of 2-ethylcyclohexan-1-amine (CID 544854) is 2-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-ethylcyclohexan-1-amine?
The canonical SMILES for 2-ethylcyclohexan-1-amine is CCC1CCCCC1N.
What is the InChIKey of 2-ethylcyclohexan-1-amine?
The InChIKey is QOPVVDFTPKWSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-2-7-5-3-4-6-8(7)9/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-ethylcyclohexan-1-amine?
2-ethylcyclohexan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclohexan-1-amine is sourced from PubChem (CID 544854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).