1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine

C15H19ClN2 — CID 43789856

IUPAC1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NC1CC2CC=CC21
InChIInChI=1S/C15H19ClN2/c1-18(2)15-12(16)7-4-8-13(15)17-14-9-10-5-3-6-11(10)14/h3-4,6-8,10-11,14,17H,5,9H2,1-2H3
InChIKeyRBIPMSDYZZKEQK-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.78
Rot. Bonds3

About 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 43789856) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID43789856
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NC1CC2CC=CC21
InChIInChI=1S/C15H19ClN2/c1-18(2)15-12(16)7-4-8-13(15)17-14-9-10-5-3-6-11(10)14/h3-4,6-8,10-11,14,17H,5,9H2,1-2H3
InChIKeyRBIPMSDYZZKEQK-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.78
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

N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43772895
N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43764534
3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64750815
3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64762651
3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43739695
3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide
CID 43783528
N-(3-methylsulfanylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43757292
3-chloro-2-N,2-N-dimethyl-1-N-pyrrolidin-3-ylbenzene-1,2-diamine
CID 79730840
3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106871888
3-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43779998
4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide
CID 43789870
5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide
CID 43784525

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine (CID 43789856) is 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1c(Cl)cccc1NC1CC2CC=CC21.
What is the InChIKey of 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is RBIPMSDYZZKEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-18(2)15-12(16)7-4-8-13(15)17-14-9-10-5-3-6-11(10)14/h3-4,6-8,10-11,14,17H,5,9H2,1-2H3.
What are the key properties of 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 262.78 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43789856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).