N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine

C15H26N2 — CID 62420575

IUPACN,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
SMILESCCCCCN(C)C(CNC)c1ccccc1
InChIInChI=1S/C15H26N2/c1-4-5-9-12-17(3)15(13-16-2)14-10-7-6-8-11-14/h6-8,10-11,15-16H,4-5,9,12-13H2,1-3H3
InChIKeyACPJZMUIVPKNNF-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.07
Rot. Bonds8

About N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine

N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine (PubChem CID 62420575) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
PubChem CID62420575
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
SMILESCCCCCN(C)C(CNC)c1ccccc1
InChIInChI=1S/C15H26N2/c1-4-5-9-12-17(3)15(13-16-2)14-10-7-6-8-11-14/h6-8,10-11,15-16H,4-5,9,12-13H2,1-3H3
InChIKeyACPJZMUIVPKNNF-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.07
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

N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 62462209
N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424767
N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55070032
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424766
N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine
CID 79858682
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine (CID 62420575) is N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine is CCCCCN(C)C(CNC)c1ccccc1.
What is the InChIKey of N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine?
The InChIKey is ACPJZMUIVPKNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-5-9-12-17(3)15(13-16-2)14-10-7-6-8-11-14/h6-8,10-11,15-16H,4-5,9,12-13H2,1-3H3.
What are the key properties of N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine?
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62420575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).