N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine

C14H30N2 — CID 62461166

IUPACN,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
SMILESCNCCCCCN(C)C1CCCCC1C
InChIInChI=1S/C14H30N2/c1-13-9-5-6-10-14(13)16(3)12-8-4-7-11-15-2/h13-15H,4-12H2,1-3H3
InChIKeyDCUMTJSNSOHMEY-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds7

About N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine

N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine (PubChem CID 62461166) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
PubChem CID62461166
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
SMILESCNCCCCCN(C)C1CCCCC1C
InChIInChI=1S/C14H30N2/c1-13-9-5-6-10-14(13)16(3)12-8-4-7-11-15-2/h13-15H,4-12H2,1-3H3
InChIKeyDCUMTJSNSOHMEY-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
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'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
CID 63655712
4-[methyl-(2-methylcyclohexyl)amino]butanenitrile
CID 60967457
4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine
CID 106799608
N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide
CID 55005421
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63502047
N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine
CID 79842952
N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
CID 61449335
N'-methyl-N-(2-methylbutan-2-yl)-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 62558034
N,2-dimethyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 62260857
N-(1-cyclopropylethyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 55089114
1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566158

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine?
The IUPAC name of N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine (CID 62461166) is N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine is CNCCCCCN(C)C1CCCCC1C.
What is the InChIKey of N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine?
The InChIKey is DCUMTJSNSOHMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13-9-5-6-10-14(13)16(3)12-8-4-7-11-15-2/h13-15H,4-12H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine?
N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine is sourced from PubChem (CID 62461166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).