N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine

C15H27N — CID 115278098

IUPACN-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine
SMILESCCC(=CC1CCC(C)CC1)CNC1CC1
InChIInChI=1S/C15H27N/c1-3-13(11-16-15-8-9-15)10-14-6-4-12(2)5-7-14/h10,12,14-16H,3-9,11H2,1-2H3
InChIKeyVHNQXTAECPJRJH-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.90
Rot. Bonds5

About N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine

N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine (PubChem CID 115278098) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine
PubChem CID115278098
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine
SMILESCCC(=CC1CCC(C)CC1)CNC1CC1
InChIInChI=1S/C15H27N/c1-3-13(11-16-15-8-9-15)10-14-6-4-12(2)5-7-14/h10,12,14-16H,3-9,11H2,1-2H3
InChIKeyVHNQXTAECPJRJH-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.90
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
2-[(4-methylcyclohexyl)methylidene]butan-1-ol
CID 115278000
2-(cyclopropylmethylidene)-N-ethylbutan-1-amine
CID 79329303
N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine
CID 79329233
N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine
CID 79330249
N-[(E)-2-ethylbut-2-enyl]cyclohexanamine
CID 134926768
N-(2-benzylidenebutyl)cyclopropanamine
CID 79329807
[(5-methylcyclononyl)amino]methanol
CID 155469542
N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine
CID 79591352
N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine
CID 79978516
N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79329584
3-methyl-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 115278136

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine (CID 115278098) is N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine is CCC(=CC1CCC(C)CC1)CNC1CC1.
What is the InChIKey of N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine?
The InChIKey is VHNQXTAECPJRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-13(11-16-15-8-9-15)10-14-6-4-12(2)5-7-14/h10,12,14-16H,3-9,11H2,1-2H3.
What are the key properties of N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine?
N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine has a molecular weight of 221.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 115278098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).