1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine

C12H26N2 — CID 90395287

IUPAC1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine
SMILESC=C(N(C)CCCC)N(C)CCCC
InChIInChI=1S/C12H26N2/c1-6-8-10-13(4)12(3)14(5)11-9-7-2/h3,6-11H2,1-2,4-5H3
InChIKeyNXMVSMQARCSIJD-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.92
Rot. Bonds8

About 1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine

1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine (PubChem CID 90395287) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine
PubChem CID90395287
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine
SMILESC=C(N(C)CCCC)N(C)CCCC
InChIInChI=1S/C12H26N2/c1-6-8-10-13(4)12(3)14(5)11-9-7-2/h3,6-11H2,1-2,4-5H3
InChIKeyNXMVSMQARCSIJD-UHFFFAOYSA-N
XLogP2.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123604210
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2-[butyl(methyl)amino]-2-oxoacetic acid
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N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813770
N-butyl-N,2-dimethylpropanamide
CID 21413636
N-butyl-N-methyl-2-oxopropanamide;ethane
CID 142836775
CID 67343304
CID 67343304
N-butyl-N-methyl-3-oxobutanamide
CID 60934379
amino N-butyl-N-methylcarbamate
CID 143838747
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine?
The IUPAC name of 1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine (CID 90395287) is 1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine is C=C(N(C)CCCC)N(C)CCCC.
What is the InChIKey of 1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine?
The InChIKey is NXMVSMQARCSIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-8-10-13(4)12(3)14(5)11-9-7-2/h3,6-11H2,1-2,4-5H3.
What are the key properties of 1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine?
1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine is sourced from PubChem (CID 90395287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).