4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine

C15H27N — CID 70810820

IUPAC4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine
SMILESC[C@@H](C1CCC(N)CC1)C1CC=CC[C@H]1C
InChIInChI=1S/C15H27N/c1-11-5-3-4-6-15(11)12(2)13-7-9-14(16)10-8-13/h3-4,11-15H,5-10,16H2,1-2H3/t11-,12+,13?,14?,15?/m1/s1
InChIKeyPMAGJJUAMOXOGO-MDKBLUTQSA-N
MW221.39 g/mol
LogP3.74
Rot. Bonds2

About 4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine

4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 70810820) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine
PubChem CID70810820
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine
SMILESC[C@@H](C1CCC(N)CC1)C1CC=CC[C@H]1C
InChIInChI=1S/C15H27N/c1-11-5-3-4-6-15(11)12(2)13-7-9-14(16)10-8-13/h3-4,11-15H,5-10,16H2,1-2H3/t11-,12+,13?,14?,15?/m1/s1
InChIKeyPMAGJJUAMOXOGO-MDKBLUTQSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine (CID 70810820) is 4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine is C[C@@H](C1CCC(N)CC1)C1CC=CC[C@H]1C.
What is the InChIKey of 4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is PMAGJJUAMOXOGO-MDKBLUTQSA-N. The full InChI is InChI=1S/C15H27N/c1-11-5-3-4-6-15(11)12(2)13-7-9-14(16)10-8-13/h3-4,11-15H,5-10,16H2,1-2H3/t11-,12+,13?,14?,15?/m1/s1.
What are the key properties of 4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine?
4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 70810820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).