N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine

C17H28N2 — CID 55087778

IUPACN-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCc1cc(C)cc(N(C)CCCNC2CCCC2)c1
InChIInChI=1S/C17H28N2/c1-14-11-15(2)13-17(12-14)19(3)10-6-9-18-16-7-4-5-8-16/h11-13,16,18H,4-10H2,1-3H3
InChIKeyZCKREGUQJOXSON-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.66
Rot. Bonds6

About N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine

N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 55087778) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID55087778
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCc1cc(C)cc(N(C)CCCNC2CCCC2)c1
InChIInChI=1S/C17H28N2/c1-14-11-15(2)13-17(12-14)19(3)10-6-9-18-16-7-4-5-8-16/h11-13,16,18H,4-10H2,1-3H3
InChIKeyZCKREGUQJOXSON-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.66
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-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 63504270
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 62429801
N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562030
N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine
CID 98017013
N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 55071126
N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
CID 63726529
N'-methyl-N-(1-oxothian-4-yl)-N'-phenylpropane-1,3-diamine
CID 54981703
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
N,3,5-trimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494461

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine (CID 55087778) is N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine is Cc1cc(C)cc(N(C)CCCNC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is ZCKREGUQJOXSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-11-15(2)13-17(12-14)19(3)10-6-9-18-16-7-4-5-8-16/h11-13,16,18H,4-10H2,1-3H3.
What are the key properties of N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine?
N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 55087778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).