3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine

C14H21ClN2 — CID 43830754

IUPAC3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine
SMILESC=CCC(N)(c1ccc(Cl)cc1)C(C)N(C)C
InChIInChI=1S/C14H21ClN2/c1-5-10-14(16,11(2)17(3)4)12-6-8-13(15)9-7-12/h5-9,11H,1,10,16H2,2-4H3
InChIKeyDCKCRIKMQGFGRZ-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.02
Rot. Bonds5

About 3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine

3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine (PubChem CID 43830754) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine
PubChem CID43830754
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine
SMILESC=CCC(N)(c1ccc(Cl)cc1)C(C)N(C)C
InChIInChI=1S/C14H21ClN2/c1-5-10-14(16,11(2)17(3)4)12-6-8-13(15)9-7-12/h5-9,11H,1,10,16H2,2-4H3
InChIKeyDCKCRIKMQGFGRZ-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine
CID 43830783
1-chloro-4-(2-fluoropent-4-en-2-yl)benzene
CID 86040182
2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine
CID 43830878
3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine
CID 43830303
[(2R)-2-(4-chlorophenyl)-2-hydroxypent-4-enyl] acetate
CID 10777371
2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine
CID 43829541
3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine
CID 43829549
1-[amino(methyl)amino]-2-(4-chlorophenyl)but-3-en-2-ol
CID 13419423
2-(4-chlorophenyl)pent-4-ene-1,2-diol
CID 10512745
3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine
CID 43830553
2-(4-chlorophenyl)-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine
CID 43830805
4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine
CID 43830638

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine?
The IUPAC name of 3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine (CID 43830754) is 3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine?
The canonical SMILES for 3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine is C=CCC(N)(c1ccc(Cl)cc1)C(C)N(C)C.
What is the InChIKey of 3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine?
The InChIKey is DCKCRIKMQGFGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-5-10-14(16,11(2)17(3)4)12-6-8-13(15)9-7-12/h5-9,11H,1,10,16H2,2-4H3.
What are the key properties of 3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine?
3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine has a molecular weight of 252.79 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine is sourced from PubChem (CID 43830754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).