N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine

C11H20ClN — CID 131245251

IUPACN-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)C/C=C/Cl)CC1
InChIInChI=1S/C11H20ClN/c1-10-4-6-11(7-5-10)13(2)9-3-8-12/h3,8,10-11H,4-7,9H2,1-2H3/b8-3+
InChIKeyNWXCIQCBGJGZFP-FPYGCLRLSA-N
MW201.74 g/mol
LogP3.25
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine

N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 131245251) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID131245251
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)C/C=C/Cl)CC1
InChIInChI=1S/C11H20ClN/c1-10-4-6-11(7-5-10)13(2)9-3-8-12/h3,8,10-11H,4-7,9H2,1-2H3/b8-3+
InChIKeyNWXCIQCBGJGZFP-FPYGCLRLSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(E)-but-2-enyl]-N,3-dimethylcyclopentan-1-amine
CID 131245731
2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol
CID 76890342
4-[cyclobutyl(methyl)amino]but-2-enoyl chloride
CID 123830742
2-[methyl-(4-methylcyclohexyl)amino]acetic acid
CID 60712035
4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 107898574
4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
CID 77135519
methane;N,N,4-trimethylcyclohexan-1-amine
CID 159051583
N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine
CID 77110311
N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine
CID 62556852
(E)-4-[cyclobutyl(methyl)amino]but-2-enoic acid
CID 71209049
1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275706
N,4-dimethyl-N-(2-methylhexa-2,4-dienyl)cyclohexan-1-amine
CID 123153448

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine (CID 131245251) is N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)C/C=C/Cl)CC1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is NWXCIQCBGJGZFP-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H20ClN/c1-10-4-6-11(7-5-10)13(2)9-3-8-12/h3,8,10-11H,4-7,9H2,1-2H3/b8-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine?
N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 201.74 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 131245251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).