N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine

C11H23ClN2 — CID 114526657

IUPACN-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCC1CCCC1Cl
InChIInChI=1S/C11H23ClN2/c1-14(2)8-4-7-13-9-10-5-3-6-11(10)12/h10-11,13H,3-9H2,1-2H3
InChIKeyDMXVTNGLXXMLGB-UHFFFAOYSA-N
MW218.77 g/mol
LogP1.94
Rot. Bonds6

About N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine

N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114526657) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID114526657
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCC1CCCC1Cl
InChIInChI=1S/C11H23ClN2/c1-14(2)8-4-7-13-9-10-5-3-6-11(10)12/h10-11,13H,3-9H2,1-2H3
InChIKeyDMXVTNGLXXMLGB-UHFFFAOYSA-N
XLogP1.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 51.94
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

N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103413070
N-[(2-chlorocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112591784
4-[[3-(dimethylamino)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964071
N-[(2-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine
CID 82924681
N-[(2-chlorocyclohexyl)methyl]-3-phenoxypropan-1-amine
CID 65024952
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 106457684
N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113433967
N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 43180683
N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine
CID 82925040
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
1-(2-chlorocyclopentyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104794895

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine (CID 114526657) is N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is DMXVTNGLXXMLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2/c1-14(2)8-4-7-13-9-10-5-3-6-11(10)12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 218.77 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114526657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).