N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine

C14H23ClN2 — CID 62428888

IUPACN'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
SMILESCNCCCCCN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-16-9-4-3-5-10-17(2)12-13-7-6-8-14(15)11-13/h6-8,11,16H,3-5,9-10,12H2,1-2H3
InChIKeyIUHGWDRHNIBYLF-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.16
Rot. Bonds8

About N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine

N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine (PubChem CID 62428888) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
PubChem CID62428888
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
SMILESCNCCCCCN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-16-9-4-3-5-10-17(2)12-13-7-6-8-14(15)11-13/h6-8,11,16H,3-5,9-10,12H2,1-2H3
InChIKeyIUHGWDRHNIBYLF-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
CID 55192519
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809
6-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106709872
2-[6-[(3-chlorophenyl)methyl-methylamino]hexyl]isoindole-1,3-dione;hydrochloride
CID 118729302
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N'-[(3-chlorophenyl)methyl]-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62554855
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254
N'-(1,3-benzodioxol-5-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202020

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine?
The IUPAC name of N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine (CID 62428888) is N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine is CNCCCCCN(C)Cc1cccc(Cl)c1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine?
The InChIKey is IUHGWDRHNIBYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-16-9-4-3-5-10-17(2)12-13-7-6-8-14(15)11-13/h6-8,11,16H,3-5,9-10,12H2,1-2H3.
What are the key properties of N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine?
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine is sourced from PubChem (CID 62428888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).