2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

C12H26N2 — CID 115133046

IUPAC2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCC1CCC1
InChIInChI=1S/C12H26N2/c1-12(2,10-13-3)14(4)9-8-11-6-5-7-11/h11,13H,5-10H2,1-4H3
InChIKeyQEWPKDDAVGEJLQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds6

About 2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115133046) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115133046
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCC1CCC1
InChIInChI=1S/C12H26N2/c1-12(2,10-13-3)14(4)9-8-11-6-5-7-11/h11,13H,5-10H2,1-4H3
InChIKeyQEWPKDDAVGEJLQ-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,N-dimethylcyclobutan-1-amine
CID 10606763
N,N-dimethyl-1-((methylamino)methyl)cyclobutan-1-amine
CID 75481734
Tetraethyldiethylenetriamine
CID 18364441
1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416506
1-[(2-fluoroethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417009
1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine
CID 131227225
1-ethyl-N-pentylcyclobutan-1-amine
CID 19893693
N-methyl-2-methyl-2-dimethylamino hexylamine
CID 21409919
2-N,2-N,2-triethylbutane-1,2-diamine
CID 24705020
1-N-hexyl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 28879927
N-[[(1S,2S)-2-(aminomethyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 57753012
1-cyclobutyl-N'-propan-2-ylethane-1,2-diamine
CID 57898253

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115133046) is 2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is CNCC(C)(C)N(C)CCC1CCC1.
What is the InChIKey of 2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is QEWPKDDAVGEJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,10-13-3)14(4)9-8-11-6-5-7-11/h11,13H,5-10H2,1-4H3.
What are the key properties of 2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclobutylethyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115133046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).