(1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine

C10H21NO — CID 155015714

IUPAC(1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine
SMILESCCC1CC[C@H](NOC)C(C)C1
InChIInChI=1S/C10H21NO/c1-4-9-5-6-10(11-12-3)8(2)7-9/h8-11H,4-7H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyIMLIAZRHSQCGJG-RTBKNWGFSA-N
MW171.28 g/mol
LogP2.35
Rot. Bonds3

About (1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine

(1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine (PubChem CID 155015714) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine
PubChem CID155015714
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine
SMILESCCC1CC[C@H](NOC)C(C)C1
InChIInChI=1S/C10H21NO/c1-4-9-5-6-10(11-12-3)8(2)7-9/h8-11H,4-7H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyIMLIAZRHSQCGJG-RTBKNWGFSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine?
The IUPAC name of (1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine (CID 155015714) is (1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine.
What is the SMILES notation for (1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine?
The canonical SMILES for (1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine is CCC1CC[C@H](NOC)C(C)C1.
What is the InChIKey of (1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine?
The InChIKey is IMLIAZRHSQCGJG-RTBKNWGFSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-9-5-6-10(11-12-3)8(2)7-9/h8-11H,4-7H2,1-3H3/t8?,9?,10-/m0/s1.
What are the key properties of (1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine?
(1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine is sourced from PubChem (CID 155015714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).