1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine

C8H15Cl2N — CID 107901200

IUPAC1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine
SMILESCN(C/C=C/Cl)C(C)(C)CCl
InChIInChI=1S/C8H15Cl2N/c1-8(2,7-10)11(3)6-4-5-9/h4-5H,6-7H2,1-3H3/b5-4+
InChIKeyFIJICEINFBJXQH-SNAWJCMRSA-N
MW196.12 g/mol
LogP2.69
Rot. Bonds4

About 1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine

1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine (PubChem CID 107901200) has the molecular formula C8H15Cl2N and a molecular weight of 196.12 g/mol. Its IUPAC name is 1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine
PubChem CID107901200
Molecular FormulaC8H15Cl2N
Molecular Weight196.12 g/mol
Exact Mass195.06
IUPAC Name1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine
SMILESCN(C/C=C/Cl)C(C)(C)CCl
InChIInChI=1S/C8H15Cl2N/c1-8(2,7-10)11(3)6-4-5-9/h4-5H,6-7H2,1-3H3/b5-4+
InChIKeyFIJICEINFBJXQH-SNAWJCMRSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-Chloroethyl)(methyl)(prop-2-en-1-yl)amine hydrochloride
CID 122164038
(E)-3-Chloro-N-((E)-3-chloroallyl)-N-ethylprop-2-en-1-amine
CID 132277938
N-(2-chloroethyl)-N-prop-2-enylprop-2-en-1-amine;hydrochloride
CID 85558164
N-(1-chloroethyl)-N-prop-2-enylprop-2-en-1-amine;hydrochloride
CID 88433005
1,1-dichloro-N,N-diethyl-2-methylbut-3-en-2-amine
CID 88941249
2-Chloroethyl-dimethyl-prop-2-enylazanium chloride
CID 129923908
3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride
CID 174389412
3-Chloroprop-2-enyl-dimethyl-prop-2-enylazanium chloride
CID 175222262
1-chloro-N,N-bis(prop-2-enyl)propan-2-amine
CID 407883
N-(2-chloroethyl)-N-prop-2-enylpropan-2-amine;hydrochloride
CID 57349420
1-chloro-N-methyl-N-prop-2-enylpropan-2-amine
CID 104555147
3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylprop-2-en-1-amine
CID 106440049

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine (CID 107901200) is 1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine is CN(C/C=C/Cl)C(C)(C)CCl.
What is the InChIKey of 1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine?
The InChIKey is FIJICEINFBJXQH-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H15Cl2N/c1-8(2,7-10)11(3)6-4-5-9/h4-5H,6-7H2,1-3H3/b5-4+.
What are the key properties of 1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine?
1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine has a molecular weight of 196.12 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 107901200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).