N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine

C15H32N2 — CID 55089565

IUPACN'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)CCNC1CCC(C)CC1
InChIInChI=1S/C15H32N2/c1-13(2)9-11-17(4)12-10-16-15-7-5-14(3)6-8-15/h13-16H,5-12H2,1-4H3
InChIKeyMAIIWFYZCDMMGS-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds7

About N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine

N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 55089565) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID55089565
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)CCNC1CCC(C)CC1
InChIInChI=1S/C15H32N2/c1-13(2)9-11-17(4)12-10-16-15-7-5-14(3)6-8-15/h13-16H,5-12H2,1-4H3
InChIKeyMAIIWFYZCDMMGS-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79489086
N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208755
N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63501893
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 78991088
N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 78989930
N-cyclopropyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378678
N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 60868035
N-(1-cyclopropylethyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557230
N'-ethyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine
CID 62704092
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63503276
N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 55056498
1-N-cyclopropyl-3-N-methyl-3-N-propylbutane-1,3-diamine
CID 62418497

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine (CID 55089565) is N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine is CC(C)CCN(C)CCNC1CCC(C)CC1.
What is the InChIKey of N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is MAIIWFYZCDMMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(2)9-11-17(4)12-10-16-15-7-5-14(3)6-8-15/h13-16H,5-12H2,1-4H3.
What are the key properties of N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine?
N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 55089565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).