(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine

C8H18N2 — CID 104873486

IUPAC(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine
SMILESC[C@H](N)CN(C)C1CCC1
InChIInChI=1S/C8H18N2/c1-7(9)6-10(2)8-4-3-5-8/h7-8H,3-6,9H2,1-2H3/t7-/m0/s1
InChIKeyFSUCZAAGQPQXLV-ZETCQYMHSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds3

About (2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine

(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine (PubChem CID 104873486) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine
PubChem CID104873486
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine
SMILESC[C@H](N)CN(C)C1CCC1
InChIInChI=1S/C8H18N2/c1-7(9)6-10(2)8-4-3-5-8/h7-8H,3-6,9H2,1-2H3/t7-/m0/s1
InChIKeyFSUCZAAGQPQXLV-ZETCQYMHSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
1-N-methyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine
CID 130563493
N'-cyclopentyl-N',2-dimethylpropane-1,3-diamine
CID 43266901
N'-cyclopentyl-1-cyclopropyl-N'-methylethane-1,2-diamine
CID 63914724
1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine
CID 130709624
methane;methanol;N-methyl-N-(2-methylpropyl)cyclobutanamine
CID 155582647
1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine
CID 126982158
2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
CID 64797293
N-cycloheptyl-N,2-dimethylbutane-1,4-diamine
CID 80544341
1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine
CID 114264928
3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide
CID 167779579
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine (CID 104873486) is (2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine is C[C@H](N)CN(C)C1CCC1.
What is the InChIKey of (2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine?
The InChIKey is FSUCZAAGQPQXLV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(9)6-10(2)8-4-3-5-8/h7-8H,3-6,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine?
(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 104873486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).