N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine

C17H36N2 — CID 63503578

IUPACN-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)CCNCC1CCCCC1
InChIInChI=1S/C17H36N2/c1-4-16(5-2)15-19(6-3)13-12-18-14-17-10-8-7-9-11-17/h16-18H,4-15H2,1-3H3
InChIKeyFPRAJTZGBIOUTL-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds10

About N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine

N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine (PubChem CID 63503578) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
PubChem CID63503578
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)CCNCC1CCCCC1
InChIInChI=1S/C17H36N2/c1-4-16(5-2)15-19(6-3)13-12-18-14-17-10-8-7-9-11-17/h16-18H,4-15H2,1-3H3
InChIKeyFPRAJTZGBIOUTL-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
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-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine
CID 63503034
N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
CID 63503881
N'-ethyl-N'-(2-ethylbutyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62574596
N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62561222
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 55089985
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378857
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
1-(cyclohexylmethylamino)pentan-3-ol
CID 115757169
N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62575446

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine (CID 63503578) is N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine is CCC(CC)CN(CC)CCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The InChIKey is FPRAJTZGBIOUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-16(5-2)15-19(6-3)13-12-18-14-17-10-8-7-9-11-17/h16-18H,4-15H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 63503578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).