N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine

C15H32N2 — CID 62429155

IUPACN-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine
SMILESCCNCCCCCN(C)C1CCCC(C)C1
InChIInChI=1S/C15H32N2/c1-4-16-11-6-5-7-12-17(3)15-10-8-9-14(2)13-15/h14-16H,4-13H2,1-3H3
InChIKeyNGPKQDFPZPLWRY-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds8

About N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine

N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine (PubChem CID 62429155) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine
PubChem CID62429155
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine
SMILESCCNCCCCCN(C)C1CCCC(C)C1
InChIInChI=1S/C15H32N2/c1-4-16-11-6-5-7-12-17(3)15-10-8-9-14(2)13-15/h14-16H,4-13H2,1-3H3
InChIKeyNGPKQDFPZPLWRY-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
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'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 62429150
N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine
CID 105343672
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62554542
3-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 60969986
1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine
CID 106799546
N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
CID 7074573
N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 2846615
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
methyl 4-[methyl-(3-methylcyclohexyl)amino]butanoate
CID 61446295
2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
CID 106805952
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine (CID 62429155) is N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine is CCNCCCCCN(C)C1CCCC(C)C1.
What is the InChIKey of N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine?
The InChIKey is NGPKQDFPZPLWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-16-11-6-5-7-12-17(3)15-10-8-9-14(2)13-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine?
N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine is sourced from PubChem (CID 62429155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).