(E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine

C13H25N — CID 142383052

IUPAC(E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine
SMILESCC/C=C(\C1CCC(C)CC1)N(C)C
InChIInChI=1S/C13H25N/c1-5-6-13(14(3)4)12-9-7-11(2)8-10-12/h6,11-12H,5,7-10H2,1-4H3/b13-6+
InChIKeyZBHYWUFTWUEKLL-AWNIVKPZSA-N
MW195.35 g/mol
LogP3.67
Rot. Bonds3

About (E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine

(E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine (PubChem CID 142383052) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine
PubChem CID142383052
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine
SMILESCC/C=C(\C1CCC(C)CC1)N(C)C
InChIInChI=1S/C13H25N/c1-5-6-13(14(3)4)12-9-7-11(2)8-10-12/h6,11-12H,5,7-10H2,1-4H3/b13-6+
InChIKeyZBHYWUFTWUEKLL-AWNIVKPZSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,6-trimethylcyclohexen-1-amine
CID 12664021
N,N,4-trimethylcyclohexen-1-amine
CID 14318945
5-(1,1-difluoroethyl)-N,N-dimethylcyclohexen-1-amine
CID 68374648
1-[(Z)-1-cyclohexylprop-1-enyl]piperidine
CID 14248043
1-[(E)-1-cyclohexylprop-1-enyl]piperidine
CID 134932948
1-(6-Ethylcyclohexen-1-yl)pyrrolidine
CID 102116981
1-(2-Bicyclo[2.2.2]oct-2-enyl)piperidine
CID 12290241
N,N,5-trimethylcyclohexen-1-amine
CID 12664023
N,N-dimethyl-4-propylcyclohexen-1-amine
CID 20725738
1-(4-Propylcyclohex-1-enyl)pyrrolidine
CID 22709049
1-(1-Cyclohexyl-3-ethylhex-1-en-2-yl)piperidine
CID 57008043
N,N,4,5-tetramethylcyclohexen-1-amine
CID 68204527

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine (CID 142383052) is (E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine is CC/C=C(\C1CCC(C)CC1)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine?
The InChIKey is ZBHYWUFTWUEKLL-AWNIVKPZSA-N. The full InChI is InChI=1S/C13H25N/c1-5-6-13(14(3)4)12-9-7-11(2)8-10-12/h6,11-12H,5,7-10H2,1-4H3/b13-6+.
What are the key properties of (E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine?
(E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine is sourced from PubChem (CID 142383052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).