N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

C10H24N2 — CID 61387174

IUPACN-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCNCCN(C)C(C)C(C)C
InChIInChI=1S/C10H24N2/c1-6-11-7-8-12(5)10(4)9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyXMAFZOKLLFAJMZ-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.57
Rot. Bonds6

About N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 61387174) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID61387174
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCNCCN(C)C(C)C(C)C
InChIInChI=1S/C10H24N2/c1-6-11-7-8-12(5)10(4)9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyXMAFZOKLLFAJMZ-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.57
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-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)butane-1,4-diamine
CID 62432648
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 55089958
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387189
N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62561753
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 60850482
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine
CID 62434303
1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol
CID 87855990
N'-methyl-N'-(3-methylbutan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62561387
N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62575849
N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine
CID 114874682
N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
CID 62463209

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 61387174) is N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is CCNCCN(C)C(C)C(C)C.
What is the InChIKey of N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is XMAFZOKLLFAJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-11-7-8-12(5)10(4)9(2)3/h9-11H,6-8H2,1-5H3.
What are the key properties of N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.57, 6 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'-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 61387174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).