3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine

C10H17Cl2N — CID 91552603

IUPAC3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine
SMILESCC(Cl)(Cl)C(N)CC1=CCCCC1
InChIInChI=1S/C10H17Cl2N/c1-10(11,12)9(13)7-8-5-3-2-4-6-8/h5,9H,2-4,6-7,13H2,1H3
InChIKeyOPMTUUULBMXGSB-UHFFFAOYSA-N
MW222.16 g/mol
LogP3.40
Rot. Bonds3

About 3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine

3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine (PubChem CID 91552603) has the molecular formula C10H17Cl2N and a molecular weight of 222.16 g/mol. Its IUPAC name is 3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine
PubChem CID91552603
Molecular FormulaC10H17Cl2N
Molecular Weight222.16 g/mol
Exact Mass221.07
IUPAC Name3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine
SMILESCC(Cl)(Cl)C(N)CC1=CCCCC1
InChIInChI=1S/C10H17Cl2N/c1-10(11,12)9(13)7-8-5-3-2-4-6-8/h5,9H,2-4,6-7,13H2,1H3
InChIKeyOPMTUUULBMXGSB-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1,1,1-trichloro-3-(cyclohexen-1-yl)propan-2-ol
CID 13238455
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
3-(cyclohexen-1-yl)-2-methylpropanoic acid
CID 54053706
1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660093
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
(2S)-2-amino-3-(cyclohexen-1-yl)propanoate
CID 153456167
1-(cyclohexen-1-yl)-5-methoxypentan-2-amine
CID 114857019
1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661135
2-(cyclopenten-1-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174886169
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 116661110
1-(cyclohexen-1-yl)pentan-2-ylhydrazine
CID 105269890

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine?
The IUPAC name of 3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine (CID 91552603) is 3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine.
What is the SMILES notation for 3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine?
The canonical SMILES for 3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine is CC(Cl)(Cl)C(N)CC1=CCCCC1.
What is the InChIKey of 3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine?
The InChIKey is OPMTUUULBMXGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2N/c1-10(11,12)9(13)7-8-5-3-2-4-6-8/h5,9H,2-4,6-7,13H2,1H3.
What are the key properties of 3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine?
3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine has a molecular weight of 222.16 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine is sourced from PubChem (CID 91552603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).