1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine

C12H26N2 — CID 63913206

IUPAC1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNC(CN(C)CC(C)C)C1CC1
InChIInChI=1S/C12H26N2/c1-5-13-12(11-6-7-11)9-14(4)8-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyONIUYJFRWVMSDT-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds7

About 1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine

1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 63913206) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID63913206
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNC(CN(C)CC(C)C)C1CC1
InChIInChI=1S/C12H26N2/c1-5-13-12(11-6-7-11)9-14(4)8-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyONIUYJFRWVMSDT-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63913659
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869640
N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
CID 79092545
N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63914297
1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 104745467
N-ethyl-5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161156
1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 104746704
1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 63913879
1-cyclopropyl-2-[methyl(2-methylpropyl)amino]ethanol
CID 63906984
2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62040549
1-cyclopentyl-N,N'-diethyl-N'-propan-2-ylethane-1,2-diamine
CID 104744640

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 63913206) is 1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCNC(CN(C)CC(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is ONIUYJFRWVMSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-13-12(11-6-7-11)9-14(4)8-10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine?
1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 63913206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).