2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine

C13H28N2 — CID 115138420

IUPAC2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NCC(C)(C)C1CCC1
InChIInChI=1S/C13H28N2/c1-10(2)12(8-14)15-9-13(3,4)11-6-5-7-11/h10-12,15H,5-9,14H2,1-4H3
InChIKeyRKIPWSOGQXTIPQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.39
Rot. Bonds6

About 2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine

2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine (PubChem CID 115138420) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine
PubChem CID115138420
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NCC(C)(C)C1CCC1
InChIInChI=1S/C13H28N2/c1-10(2)12(8-14)15-9-13(3,4)11-6-5-7-11/h10-12,15H,5-9,14H2,1-4H3
InChIKeyRKIPWSOGQXTIPQ-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-(1-cyclopropylethyl)-2-methylpropan-1-amine
CID 115895845
N'-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,3-diamine
CID 115198967
3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol
CID 115137861
3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 65379067
3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine
CID 115135098
4-amino-N-(2-cyclohexyl-2-methylpropyl)-3-methylbutanamide
CID 115156526
N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319
2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261517
2-cyclohexyl-2-methylpropan-1-amine
CID 19776368
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine
CID 115244471
2-N-(2,6-dimethylpiperidin-1-yl)-3-methylbutane-1,2-diamine
CID 83011635

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine (CID 115138420) is 2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine is CC(C)C(CN)NCC(C)(C)C1CCC1.
What is the InChIKey of 2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine?
The InChIKey is RKIPWSOGQXTIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)12(8-14)15-9-13(3,4)11-6-5-7-11/h10-12,15H,5-9,14H2,1-4H3.
What are the key properties of 2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine?
2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 115138420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).