(E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine

C8H15Cl2N — CID 174088047

IUPAC(E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine
SMILESCN/C(=C(\C)Cl)[C@H](C)C(C)Cl
InChIInChI=1S/C8H15Cl2N/c1-5(6(2)9)8(11-4)7(3)10/h5-6,11H,1-4H3/b8-7+/t5-,6?/m1/s1
InChIKeyJZOZCURICLAKMM-FQIBTTFDSA-N
MW196.12 g/mol
LogP2.94
Rot. Bonds3

About (E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine

(E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine (PubChem CID 174088047) has the molecular formula C8H15Cl2N and a molecular weight of 196.12 g/mol. Its IUPAC name is (E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine.

Molecular Properties

Compound Name(E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine
PubChem CID174088047
Molecular FormulaC8H15Cl2N
Molecular Weight196.12 g/mol
Exact Mass195.06
IUPAC Name(E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine
SMILESCN/C(=C(\C)Cl)[C@H](C)C(C)Cl
InChIInChI=1S/C8H15Cl2N/c1-5(6(2)9)8(11-4)7(3)10/h5-6,11H,1-4H3/b8-7+/t5-,6?/m1/s1
InChIKeyJZOZCURICLAKMM-FQIBTTFDSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 88525662
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CID 7130812
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CID 19773769
(E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine
CID 146384668
1-chloro-N,2-dimethylprop-1-en-1-amine
CID 86211686
1,1-dichloroethane;1,2-dimethylhydrazine
CID 157169492
1,1-dichloroethane;1,1-dichloroethene;formonitrile;N-methylmethanamine
CID 173165265
2-chloropropane;methyl acetate
CID 157293612
4-chloro-3-methylpent-2-ene
CID 85440898
(2R)-2-chloro-N-methyl-3-oxobutanamide
CID 6999875
4,4-dichloro-2,3-dimethylbut-1-ene
CID 142049943
N-methylacetamide;propan-2-ylazanium
CID 158450921

Frequently Asked Questions

What is the IUPAC name of (E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine?
The IUPAC name of (E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine (CID 174088047) is (E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine.
What is the SMILES notation for (E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine?
The canonical SMILES for (E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine is CN/C(=C(\C)Cl)[C@H](C)C(C)Cl.
What is the InChIKey of (E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine?
The InChIKey is JZOZCURICLAKMM-FQIBTTFDSA-N. The full InChI is InChI=1S/C8H15Cl2N/c1-5(6(2)9)8(11-4)7(3)10/h5-6,11H,1-4H3/b8-7+/t5-,6?/m1/s1.
What are the key properties of (E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine?
(E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine has a molecular weight of 196.12 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine is sourced from PubChem (CID 174088047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).