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

Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
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CID 6437946
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
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N-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)cyclohexanamine
CID 10537737
(2S)-4-methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 58193783
4-Methyl-2-(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 68639752
N-Ethyl-5-(1-(ethylamino)-1-methylethyl)-2-methyl-2-cyclohexen-1-amine
CID 375999
N-[[4-[(cyclohexylamino)methyl]cyclohex-3-en-1-yl]methyl]cyclohexanamine
CID 102745
7-(3,6-Difluorocyclohexa-1,5-dien-1-yl)-2-hept-5-en-3-yl-4-methyl-1,2,3,10-tetrahydroazecine
CID 123154189
(E)-2-N-[1-[4-[[[(5E)-5-ethylidenenonan-2-yl]amino]methyl]cyclohexyl]ethyl]-5-fluorohept-4-ene-2,3-diamine
CID 156561396
6-Fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline
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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).