(1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine

C11H21N — CID 170198039

IUPAC(1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine
SMILESC=C1CC(C)CC(CC)(CN)C1
InChIInChI=1S/C11H21N/c1-4-11(8-12)6-9(2)5-10(3)7-11/h10H,2,4-8,12H2,1,3H3
InChIKeyOHYGUVPUFCAJRN-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.72
Rot. Bonds2

About (1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine

(1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine (PubChem CID 170198039) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine.

Molecular Properties

Compound Name(1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine
PubChem CID170198039
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine
SMILESC=C1CC(C)CC(CC)(CN)C1
InChIInChI=1S/C11H21N/c1-4-11(8-12)6-9(2)5-10(3)7-11/h10H,2,4-8,12H2,1,3H3
InChIKeyOHYGUVPUFCAJRN-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.72
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 (1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine?
The IUPAC name of (1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine (CID 170198039) is (1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine.
What is the SMILES notation for (1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine?
The canonical SMILES for (1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine is C=C1CC(C)CC(CC)(CN)C1.
What is the InChIKey of (1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine?
The InChIKey is OHYGUVPUFCAJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-11(8-12)6-9(2)5-10(3)7-11/h10H,2,4-8,12H2,1,3H3.
What are the key properties of (1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine?
(1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-5-methylidenecyclohexyl)methanamine is sourced from PubChem (CID 170198039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).