3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine

C14H22ClN3 — CID 104834814

IUPAC3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine
SMILESCN(C)C1(CNc2cccc(Cl)c2N)CCCC1
InChIInChI=1S/C14H22ClN3/c1-18(2)14(8-3-4-9-14)10-17-12-7-5-6-11(15)13(12)16/h5-7,17H,3-4,8-10,16H2,1-2H3
InChIKeyXUEGAAAYWCQFQW-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.21
Rot. Bonds4

About 3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine

3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine (PubChem CID 104834814) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine
PubChem CID104834814
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine
SMILESCN(C)C1(CNc2cccc(Cl)c2N)CCCC1
InChIInChI=1S/C14H22ClN3/c1-18(2)14(8-3-4-9-14)10-17-12-7-5-6-11(15)13(12)16/h5-7,17H,3-4,8-10,16H2,1-2H3
InChIKeyXUEGAAAYWCQFQW-UHFFFAOYSA-N
XLogP3.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine (CID 104834814) is 3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine is CN(C)C1(CNc2cccc(Cl)c2N)CCCC1.
What is the InChIKey of 3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine?
The InChIKey is XUEGAAAYWCQFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-18(2)14(8-3-4-9-14)10-17-12-7-5-6-11(15)13(12)16/h5-7,17H,3-4,8-10,16H2,1-2H3.
What are the key properties of 3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine?
3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine has a molecular weight of 267.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine is sourced from PubChem (CID 104834814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).