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

C13H25N — CID 167020083

IUPACN,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine
SMILESCCC=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
InChIKeyZBHYWUFTWUEKLL-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.67
Rot. Bonds3

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

N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine (PubChem CID 167020083) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine
PubChem CID167020083
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine
SMILESCCC=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
InChIKeyZBHYWUFTWUEKLL-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine?
The IUPAC name of N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine (CID 167020083) is N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine?
The canonical SMILES for N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine is CCC=C(C1CCC(C)CC1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine?
The InChIKey is ZBHYWUFTWUEKLL-UHFFFAOYSA-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.
What are the key properties of N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine?
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 N,N-dimethyl-1-(4-methylcyclohexyl)but-1-en-1-amine is sourced from PubChem (CID 167020083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).