N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine

C18H38N2 — CID 143839943

IUPACN-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(CC)CCCNCCC1CCCCC1
InChIInChI=1S/C18H38N2/c1-3-5-9-16-20(4-2)17-10-14-19-15-13-18-11-7-6-8-12-18/h18-19H,3-17H2,1-2H3
InChIKeyPTGYYEQAIFJBFG-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds12

About N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine

N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine (PubChem CID 143839943) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine
PubChem CID143839943
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(CC)CCCNCCC1CCCCC1
InChIInChI=1S/C18H38N2/c1-3-5-9-16-20(4-2)17-10-14-19-15-13-18-11-7-6-8-12-18/h18-19H,3-17H2,1-2H3
InChIKeyPTGYYEQAIFJBFG-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
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',N'-diethylbutane-1,4-diamine
CID 83960501
N-(2-cyclohexylethyl)butan-1-amine;hydrochloride
CID 57440786
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate
CID 173347428
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835
N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423
N'-(4-cycloheptylbutyl)-N-propylpropane-1,3-diamine
CID 91402208
N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006
N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
CID 62575467
10-cyclohexyl-N,N-dipropyldecan-1-amine;hydrochloride
CID 173360948

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine?
The IUPAC name of N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine (CID 143839943) is N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine.
What is the SMILES notation for N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine?
The canonical SMILES for N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine is CCCCCN(CC)CCCNCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine?
The InChIKey is PTGYYEQAIFJBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-3-5-9-16-20(4-2)17-10-14-19-15-13-18-11-7-6-8-12-18/h18-19H,3-17H2,1-2H3.
What are the key properties of N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine?
N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine is sourced from PubChem (CID 143839943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).