N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine

C14H25N — CID 79591352

IUPACN-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine
SMILESCC1CCC(/C=C/CCNC2CC2)CC1
InChIInChI=1S/C14H25N/c1-12-5-7-13(8-6-12)4-2-3-11-15-14-9-10-14/h2,4,12-15H,3,5-11H2,1H3/b4-2+
InChIKeyZSVIBYFXNVWBPK-DUXPYHPUSA-N
MW207.36 g/mol
LogP3.51
Rot. Bonds5

About N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine

N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine (PubChem CID 79591352) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine
PubChem CID79591352
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine
SMILESCC1CCC(/C=C/CCNC2CC2)CC1
InChIInChI=1S/C14H25N/c1-12-5-7-13(8-6-12)4-2-3-11-15-14-9-10-14/h2,4,12-15H,3,5-11H2,1H3/b4-2+
InChIKeyZSVIBYFXNVWBPK-DUXPYHPUSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine
CID 79591341
1-[(E)-but-1-enyl]-4-methylcyclohexane
CID 21137229
1-[4-[(1E,5E)-hepta-1,5-dienyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 59927398
N-(5,5-dimethylhex-3-enyl)cyclopropanamine
CID 79593002
N-[(E)-4-(2-ethylcyclohexyl)but-3-enyl]cyclopropanamine
CID 79593006
N-(7,7-dimethyloct-3-enyl)cyclopropanamine
CID 79591091
[(E)-hex-1-enyl]cyclopropane
CID 5352188
4-(4-ethylcyclohexyl)-N-propylbut-3-en-1-amine
CID 79591313
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
cyclohexane;8-(4-methylcyclohexyl)oct-7-ene-4-thiol
CID 143210185
N-(2-ethoxyethyl)-4-methylcyclohexan-1-amine
CID 43387964
N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine
CID 115278098

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine?
The IUPAC name of N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine (CID 79591352) is N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine?
The canonical SMILES for N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine is CC1CCC(/C=C/CCNC2CC2)CC1.
What is the InChIKey of N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine?
The InChIKey is ZSVIBYFXNVWBPK-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H25N/c1-12-5-7-13(8-6-12)4-2-3-11-15-14-9-10-14/h2,4,12-15H,3,5-11H2,1H3/b4-2+.
What are the key properties of N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine?
N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine has a molecular weight of 207.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine is sourced from PubChem (CID 79591352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).