3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine

C17H33N — CID 115278149

IUPAC3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(=CC1CCC(C)CC1)C(C)C
InChIInChI=1S/C17H33N/c1-13(2)11-18-12-17(14(3)4)10-16-8-6-15(5)7-9-16/h10,13-16,18H,6-9,11-12H2,1-5H3
InChIKeyBSMRQLWXFILZFE-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.64
Rot. Bonds6

About 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine

3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine (PubChem CID 115278149) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine
PubChem CID115278149
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(=CC1CCC(C)CC1)C(C)C
InChIInChI=1S/C17H33N/c1-13(2)11-18-12-17(14(3)4)10-16-8-6-15(5)7-9-16/h10,13-16,18H,6-9,11-12H2,1-5H3
InChIKeyBSMRQLWXFILZFE-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 115278136
2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine
CID 79339426
2-(cyclopentylmethylidene)-N-ethyl-3-methylbutan-1-amine
CID 79339346
3-methyl-2-[(3-methylcyclohexyl)methylidene]-N-propylbutan-1-amine
CID 113247518
2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine
CID 79337579
[2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane
CID 79334822
(2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79328767
(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79976727
N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine
CID 115278098
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
[2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane
CID 79335501
N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 115278117

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine (CID 115278149) is 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(=CC1CCC(C)CC1)C(C)C.
What is the InChIKey of 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is BSMRQLWXFILZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13(2)11-18-12-17(14(3)4)10-16-8-6-15(5)7-9-16/h10,13-16,18H,6-9,11-12H2,1-5H3.
What are the key properties of 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 115278149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).