N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine

C11H26N2 — CID 123518581

IUPACN,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine
SMILESCCC(C)CCCN(C)CCNC
InChIInChI=1S/C11H26N2/c1-5-11(2)7-6-9-13(4)10-8-12-3/h11-12H,5-10H2,1-4H3
InChIKeyGJGONVLUSICPLC-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.96
Rot. Bonds8

About N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine

N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine (PubChem CID 123518581) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine
PubChem CID123518581
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine
SMILESCCC(C)CCCN(C)CCNC
InChIInChI=1S/C11H26N2/c1-5-11(2)7-6-9-13(4)10-8-12-3/h11-12H,5-10H2,1-4H3
InChIKeyGJGONVLUSICPLC-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
N,7-dimethyl-N-propylnonan-1-amine
CID 174179101
3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol
CID 137467653
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295
N'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401
N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine
CID 114874682
N,3-dimethylpentan-1-amine;ethane
CID 142089517
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine
CID 176568903
N-methyl-2-(4-methylhexoxy)ethanamine
CID 138736664
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine (CID 123518581) is N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine is CCC(C)CCCN(C)CCNC.
What is the InChIKey of N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine?
The InChIKey is GJGONVLUSICPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-11(2)7-6-9-13(4)10-8-12-3/h11-12H,5-10H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine is sourced from PubChem (CID 123518581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).