(4-methyl-3-methylidenecyclohexyl)methanamine

C9H17N — CID 90724112

IUPAC(4-methyl-3-methylidenecyclohexyl)methanamine
SMILESC=C1CC(CN)CCC1C
InChIInChI=1S/C9H17N/c1-7-3-4-9(6-10)5-8(7)2/h7,9H,2-6,10H2,1H3
InChIKeyFFWAFDJJYXFBCC-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.94
Rot. Bonds1

About (4-methyl-3-methylidenecyclohexyl)methanamine

(4-methyl-3-methylidenecyclohexyl)methanamine (PubChem CID 90724112) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (4-methyl-3-methylidenecyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methyl-3-methylidenecyclohexyl)methanamine
PubChem CID90724112
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(4-methyl-3-methylidenecyclohexyl)methanamine
SMILESC=C1CC(CN)CCC1C
InChIInChI=1S/C9H17N/c1-7-3-4-9(6-10)5-8(7)2/h7,9H,2-6,10H2,1H3
InChIKeyFFWAFDJJYXFBCC-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.94
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-methyl-3-methylidenecyclohexyl)methanamine?
The IUPAC name of (4-methyl-3-methylidenecyclohexyl)methanamine (CID 90724112) is (4-methyl-3-methylidenecyclohexyl)methanamine.
What is the SMILES notation for (4-methyl-3-methylidenecyclohexyl)methanamine?
The canonical SMILES for (4-methyl-3-methylidenecyclohexyl)methanamine is C=C1CC(CN)CCC1C.
What is the InChIKey of (4-methyl-3-methylidenecyclohexyl)methanamine?
The InChIKey is FFWAFDJJYXFBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-3-4-9(6-10)5-8(7)2/h7,9H,2-6,10H2,1H3.
What are the key properties of (4-methyl-3-methylidenecyclohexyl)methanamine?
(4-methyl-3-methylidenecyclohexyl)methanamine has a molecular weight of 139.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-methylidenecyclohexyl)methanamine is sourced from PubChem (CID 90724112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).