N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine

C16H34N2 — CID 63501797

IUPACN'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine
SMILESCCCCCCNCCN(CC)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-3-5-6-10-13-17-14-15-18(4-2)16-11-8-7-9-12-16/h16-17H,3-15H2,1-2H3
InChIKeyOLBFLHZQVBSNGJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds10

About N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine

N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine (PubChem CID 63501797) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine
PubChem CID63501797
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine
SMILESCCCCCCNCCN(CC)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-3-5-6-10-13-17-14-15-18(4-2)16-11-8-7-9-12-16/h16-17H,3-15H2,1-2H3
InChIKeyOLBFLHZQVBSNGJ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
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-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62425397
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62425580
N'-cyclopropyl-N,N'-diethylpentane-1,5-diamine
CID 62421283
N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine
CID 55023150
N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine
CID 62555037
N,N-diethylcycloundecanamine
CID 163828609
N'-cyclobutyl-N'-ethyl-N-methylethane-1,2-diamine;ethane
CID 142444471
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555882
N'-cyclohexyl-N-(dicyclopropylmethyl)-N'-ethylethane-1,2-diamine
CID 62575722

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine (CID 63501797) is N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine is CCCCCCNCCN(CC)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine?
The InChIKey is OLBFLHZQVBSNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-5-6-10-13-17-14-15-18(4-2)16-11-8-7-9-12-16/h16-17H,3-15H2,1-2H3.
What are the key properties of N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine?
N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine is sourced from PubChem (CID 63501797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).