3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine

C16H31N — CID 115278136

IUPAC3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCC1CCC(C=C(CNC(C)C)C(C)C)CC1
InChIInChI=1S/C16H31N/c1-12(2)16(11-17-13(3)4)10-15-8-6-14(5)7-9-15/h10,12-15,17H,6-9,11H2,1-5H3
InChIKeySFIBWTARWCAJKO-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.39
Rot. Bonds5

About 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine

3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 115278136) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID115278136
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCC1CCC(C=C(CNC(C)C)C(C)C)CC1
InChIInChI=1S/C16H31N/c1-12(2)16(11-17-13(3)4)10-15-8-6-14(5)7-9-15/h10,12-15,17H,6-9,11H2,1-5H3
InChIKeySFIBWTARWCAJKO-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79328767
3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 115278149
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-(chloromethyl)-3-methylbut-1-enyl]cyclopropane
CID 79334822
4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine
CID 79339268
[2-(chloromethyl)-3-methylbut-1-enyl]cyclopentane
CID 79335501
[2-(chloromethyl)-3-methylbut-1-enyl]cyclohexane
CID 79335620
(Z)-N,2-di(propan-2-yl)hept-2-en-1-amine
CID 139548782
N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine
CID 115278098
N,3-dimethyl-2-(thiolan-3-ylmethylidene)butan-1-amine
CID 107133855

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine (CID 115278136) is 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine is CC1CCC(C=C(CNC(C)C)C(C)C)CC1.
What is the InChIKey of 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is SFIBWTARWCAJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)16(11-17-13(3)4)10-15-8-6-14(5)7-9-15/h10,12-15,17H,6-9,11H2,1-5H3.
What are the key properties of 3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine?
3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.39, 5 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-propan-2-ylbutan-1-amine is sourced from PubChem (CID 115278136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).