[(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine

C9H17NO — CID 174038054

IUPAC[(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine
SMILESCO[C@@H]1CC=C(CN)[C@@H](C)C1
InChIInChI=1S/C9H17NO/c1-7-5-9(11-2)4-3-8(7)6-10/h3,7,9H,4-6,10H2,1-2H3/t7-,9+/m0/s1
InChIKeyNBVVRBSVOUGPMI-IONNQARKSA-N
MW155.24 g/mol
LogP1.32
Rot. Bonds2

About [(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine

[(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine (PubChem CID 174038054) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine.

Molecular Properties

Compound Name[(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine
PubChem CID174038054
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine
SMILESCO[C@@H]1CC=C(CN)[C@@H](C)C1
InChIInChI=1S/C9H17NO/c1-7-5-9(11-2)4-3-8(7)6-10/h3,7,9H,4-6,10H2,1-2H3/t7-,9+/m0/s1
InChIKeyNBVVRBSVOUGPMI-IONNQARKSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine?
The IUPAC name of [(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine (CID 174038054) is [(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine.
What is the SMILES notation for [(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine?
The canonical SMILES for [(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine is CO[C@@H]1CC=C(CN)[C@@H](C)C1.
What is the InChIKey of [(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine?
The InChIKey is NBVVRBSVOUGPMI-IONNQARKSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-5-9(11-2)4-3-8(7)6-10/h3,7,9H,4-6,10H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of [(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine?
[(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine is sourced from PubChem (CID 174038054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).