N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine

C11H26N2 — CID 134316858

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

About N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine

N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine (PubChem CID 134316858) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine
PubChem CID134316858
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine
SMILESCCN(CCCC(C)C)CCNC
InChIInChI=1S/C11H26N2/c1-5-13(10-8-12-4)9-6-7-11(2)3/h11-12H,5-10H2,1-4H3
InChIKeySFIUQOUWNQAPPH-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'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 142226092
N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
CID 83169075
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N-[2-[2-[bis(4-methylpentyl)amino]ethyl-ethylamino]ethyl]-N,N'-diethyl-N'-[2-[4-methylpentyl(pentyl)amino]ethyl]ethane-1,2-diamine
CID 142586860
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine
CID 88608998
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997759

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine (CID 134316858) is N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine is CCN(CCCC(C)C)CCNC.
What is the InChIKey of N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine?
The InChIKey is SFIUQOUWNQAPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-13(10-8-12-4)9-6-7-11(2)3/h11-12H,5-10H2,1-4H3.
What are the key properties of N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine?
N'-ethyl-N-methyl-N'-(4-methylpentyl)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'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine is sourced from PubChem (CID 134316858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).