N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine

C10H17Cl2N — CID 79167631

IUPACN-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCC(Cl)=CCl)C1
InChIInChI=1S/C10H17Cl2N/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h6,8,10,13H,2-5,7H2,1H3
InChIKeyWKADGDSKMVRRCO-UHFFFAOYSA-N
MW222.16 g/mol
LogP3.47
Rot. Bonds3

About N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine

N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine (PubChem CID 79167631) has the molecular formula C10H17Cl2N and a molecular weight of 222.16 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine
PubChem CID79167631
Molecular FormulaC10H17Cl2N
Molecular Weight222.16 g/mol
Exact Mass221.07
IUPAC NameN-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCC(Cl)=CCl)C1
InChIInChI=1S/C10H17Cl2N/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h6,8,10,13H,2-5,7H2,1H3
InChIKeyWKADGDSKMVRRCO-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dichloroprop-2-enyl)cyclopentanamine
CID 79167999
N-cyclohexyl-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317870
[(5-methylcyclononyl)amino]methanol
CID 155469542
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol
CID 93346375
3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine
CID 103724489
N-(2-chlorophenyl)-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317886
2-[[(1R,3S)-3-methylcyclohexyl]amino]-1-phenylethanone
CID 122534357
N,3-dimethylcyclohexan-1-amine
CID 16771259
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
3-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106636915

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine (CID 79167631) is N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine is CC1CCCC(NCC(Cl)=CCl)C1.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine?
The InChIKey is WKADGDSKMVRRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2N/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h6,8,10,13H,2-5,7H2,1H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine?
N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine has a molecular weight of 222.16 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 79167631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).