[(1S)-3-methylidenecyclohexyl]methanamine

C8H15N — CID 101199300

IUPAC[(1S)-3-methylidenecyclohexyl]methanamine
SMILESC=C1CCC[C@H](CN)C1
InChIInChI=1S/C8H15N/c1-7-3-2-4-8(5-7)6-9/h8H,1-6,9H2/t8-/m0/s1
InChIKeyLOBUJBJJVMWBNJ-QMMMGPOBSA-N
MW125.22 g/mol
LogP1.69
Rot. Bonds1

About [(1S)-3-methylidenecyclohexyl]methanamine

[(1S)-3-methylidenecyclohexyl]methanamine (PubChem CID 101199300) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is [(1S)-3-methylidenecyclohexyl]methanamine.

Molecular Properties

Compound Name[(1S)-3-methylidenecyclohexyl]methanamine
PubChem CID101199300
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name[(1S)-3-methylidenecyclohexyl]methanamine
SMILESC=C1CCC[C@H](CN)C1
InChIInChI=1S/C8H15N/c1-7-3-2-4-8(5-7)6-9/h8H,1-6,9H2/t8-/m0/s1
InChIKeyLOBUJBJJVMWBNJ-QMMMGPOBSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.69
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 [(1S)-3-methylidenecyclohexyl]methanamine?
The IUPAC name of [(1S)-3-methylidenecyclohexyl]methanamine (CID 101199300) is [(1S)-3-methylidenecyclohexyl]methanamine.
What is the SMILES notation for [(1S)-3-methylidenecyclohexyl]methanamine?
The canonical SMILES for [(1S)-3-methylidenecyclohexyl]methanamine is C=C1CCC[C@H](CN)C1.
What is the InChIKey of [(1S)-3-methylidenecyclohexyl]methanamine?
The InChIKey is LOBUJBJJVMWBNJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15N/c1-7-3-2-4-8(5-7)6-9/h8H,1-6,9H2/t8-/m0/s1.
What are the key properties of [(1S)-3-methylidenecyclohexyl]methanamine?
[(1S)-3-methylidenecyclohexyl]methanamine has a molecular weight of 125.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-methylidenecyclohexyl]methanamine is sourced from PubChem (CID 101199300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).