N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine

C15H32N2 — CID 114132559

IUPACN'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCNC1CC(C)CCC1C
InChIInChI=1S/C15H32N2/c1-6-14(4)17(5)10-9-16-15-11-12(2)7-8-13(15)3/h12-16H,6-11H2,1-5H3
InChIKeySWHSPJMEPOQBQW-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds6

About N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine

N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine (PubChem CID 114132559) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine
PubChem CID114132559
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCNC1CC(C)CCC1C
InChIInChI=1S/C15H32N2/c1-6-14(4)17(5)10-9-16-15-11-12(2)7-8-13(15)3/h12-16H,6-11H2,1-5H3
InChIKeySWHSPJMEPOQBQW-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
CID 64776142
N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 113230405
2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102904416
N'-butan-2-yl-N-(3-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 103698983
N'-butan-2-yl-N'-methyl-N-(thian-4-yl)ethane-1,2-diamine;hydrochloride
CID 115605972
N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine
CID 103930680
2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 64774304
3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103951997
N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine
CID 115716401
N-(3,4-dimethylcyclohexyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64746812
N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine
CID 64760108
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 64762279

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine (CID 114132559) is N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine is CCC(C)N(C)CCNC1CC(C)CCC1C.
What is the InChIKey of N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine?
The InChIKey is SWHSPJMEPOQBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-14(4)17(5)10-9-16-15-11-12(2)7-8-13(15)3/h12-16H,6-11H2,1-5H3.
What are the key properties of N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine?
N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 114132559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).