N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine

C16H34N2 — CID 83960501

IUPACN-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine
SMILESCCN(CC)CCCCNCCC1CCCCC1
InChIInChI=1S/C16H34N2/c1-3-18(4-2)15-9-8-13-17-14-12-16-10-6-5-7-11-16/h16-17H,3-15H2,1-2H3
InChIKeyUFSMTEAZAHBURF-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds10

About N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine

N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine (PubChem CID 83960501) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine
PubChem CID83960501
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine
SMILESCCN(CC)CCCCNCCC1CCCCC1
InChIInChI=1S/C16H34N2/c1-3-18(4-2)15-9-8-13-17-14-12-16-10-6-5-7-11-16/h16-17H,3-15H2,1-2H3
InChIKeyUFSMTEAZAHBURF-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine
CID 143839943
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate
CID 173347428
N-(2-cyclohexylethyl)butan-1-amine;hydrochloride
CID 57440786
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N-(cyclopropylmethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960498
N'-(4-cycloheptylbutyl)-N-propylpropane-1,3-diamine
CID 91402208
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835
N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384
2-cyclobutyl-N,N-diethylethanamine
CID 142625062
N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine
CID 63939122
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine?
The IUPAC name of N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine (CID 83960501) is N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine.
What is the SMILES notation for N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine?
The canonical SMILES for N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine is CCN(CC)CCCCNCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine?
The InChIKey is UFSMTEAZAHBURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-18(4-2)15-9-8-13-17-14-12-16-10-6-5-7-11-16/h16-17H,3-15H2,1-2H3.
What are the key properties of N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine?
N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine is sourced from PubChem (CID 83960501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).