(4-methylidenecyclohexyl)methanamine

C8H15N — CID 21039784

IUPAC(4-methylidenecyclohexyl)methanamine
SMILESC=C1CCC(CN)CC1
InChIInChI=1S/C8H15N/c1-7-2-4-8(6-9)5-3-7/h8H,1-6,9H2
InChIKeyLDXOZYCFUXFGAG-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.69
Rot. Bonds1

About (4-methylidenecyclohexyl)methanamine

(4-methylidenecyclohexyl)methanamine (PubChem CID 21039784) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (4-methylidenecyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methylidenecyclohexyl)methanamine
PubChem CID21039784
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(4-methylidenecyclohexyl)methanamine
SMILESC=C1CCC(CN)CC1
InChIInChI=1S/C8H15N/c1-7-2-4-8(6-9)5-3-7/h8H,1-6,9H2
InChIKeyLDXOZYCFUXFGAG-UHFFFAOYSA-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 (4-methylidenecyclohexyl)methanamine?
The IUPAC name of (4-methylidenecyclohexyl)methanamine (CID 21039784) is (4-methylidenecyclohexyl)methanamine.
What is the SMILES notation for (4-methylidenecyclohexyl)methanamine?
The canonical SMILES for (4-methylidenecyclohexyl)methanamine is C=C1CCC(CN)CC1.
What is the InChIKey of (4-methylidenecyclohexyl)methanamine?
The InChIKey is LDXOZYCFUXFGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-2-4-8(6-9)5-3-7/h8H,1-6,9H2.
What are the key properties of (4-methylidenecyclohexyl)methanamine?
(4-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 (4-methylidenecyclohexyl)methanamine is sourced from PubChem (CID 21039784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).