N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine

C9H19ClN2 — CID 66005005

IUPACN-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCC1CC(Cl)C1
InChIInChI=1S/C9H19ClN2/c1-12(2)4-3-11-7-8-5-9(10)6-8/h8-9,11H,3-7H2,1-2H3
InChIKeyLEYQVZYCTJYSCU-UHFFFAOYSA-N
MW190.72 g/mol
LogP1.15
Rot. Bonds5

About N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 66005005) has the molecular formula C9H19ClN2 and a molecular weight of 190.72 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID66005005
Molecular FormulaC9H19ClN2
Molecular Weight190.72 g/mol
Exact Mass190.12
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCC1CC(Cl)C1
InChIInChI=1S/C9H19ClN2/c1-12(2)4-3-11-7-8-5-9(10)6-8/h8-9,11H,3-7H2,1-2H3
InChIKeyLEYQVZYCTJYSCU-UHFFFAOYSA-N
XLogP1.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.72
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol
CID 106133697
3-chloro-N-[(3-chlorocyclobutyl)methyl]propan-1-amine
CID 164662994
N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine
CID 66004138
N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 107001471
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045
N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 66006279
N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide
CID 3312354
N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine
CID 79167152
N-(cyclopropylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60867294
4-[[3-(dimethylamino)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964071
N-[(3-chlorocyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103015220
N-(cyclopentylmethyl)-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952800

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 66005005) is N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCC1CC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LEYQVZYCTJYSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2/c1-12(2)4-3-11-7-8-5-9(10)6-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 190.72 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 66005005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).