N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine

C7H17ClN2 — CID 65025453

IUPACN-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCC(CCl)NCCN(C)C
InChIInChI=1S/C7H17ClN2/c1-7(6-8)9-4-5-10(2)3/h7,9H,4-6H2,1-3H3
InChIKeyGRAUYCRXAVBOOA-UHFFFAOYSA-N
MW164.68 g/mol
LogP0.76
Rot. Bonds5

About N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine

N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 65025453) has the molecular formula C7H17ClN2 and a molecular weight of 164.68 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID65025453
Molecular FormulaC7H17ClN2
Molecular Weight164.68 g/mol
Exact Mass164.11
IUPAC NameN-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCC(CCl)NCCN(C)C
InChIInChI=1S/C7H17ClN2/c1-7(6-8)9-4-5-10(2)3/h7,9H,4-6H2,1-3H3
InChIKeyGRAUYCRXAVBOOA-UHFFFAOYSA-N
XLogP0.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorobutan-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 83186512
3-[2-(dimethylamino)ethylamino]butan-1-ol
CID 83176952
N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;molecular hydrogen
CID 145190713
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine
CID 106153170
1-chloro-N-prop-2-enylpropan-2-amine
CID 65025683
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 43754808
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
CID 60852501
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine (CID 65025453) is N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine is CC(CCl)NCCN(C)C.
What is the InChIKey of N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GRAUYCRXAVBOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClN2/c1-7(6-8)9-4-5-10(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine?
N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 164.68 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 65025453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).