(2S)-1-N-cyclobutylbutane-1,2-diamine

C8H18N2 — CID 94424015

IUPAC(2S)-1-N-cyclobutylbutane-1,2-diamine
SMILESCC[C@H](N)CNC1CCC1
InChIInChI=1S/C8H18N2/c1-2-7(9)6-10-8-4-3-5-8/h7-8,10H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyBPDSJDNWXLCNCO-ZETCQYMHSA-N
MW142.25 g/mol
LogP0.87
Rot. Bonds4

About (2S)-1-N-cyclobutylbutane-1,2-diamine

(2S)-1-N-cyclobutylbutane-1,2-diamine (PubChem CID 94424015) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (2S)-1-N-cyclobutylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-cyclobutylbutane-1,2-diamine
PubChem CID94424015
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(2S)-1-N-cyclobutylbutane-1,2-diamine
SMILESCC[C@H](N)CNC1CCC1
InChIInChI=1S/C8H18N2/c1-2-7(9)6-10-8-4-3-5-8/h7-8,10H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyBPDSJDNWXLCNCO-ZETCQYMHSA-N
XLogP0.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclododecylbutane-1,2-diamine
CID 83958083
1-(cyclobutylamino)butan-2-ol
CID 62416322
1-N-cycloheptyl-3-methylpentane-1,2-diamine
CID 61150855
1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
CID 114547491
1-N-cyclohexyl-3-methoxypropane-1,2-diamine
CID 81101146
N-(2-methylbutyl)cyclopentanamine
CID 43200714
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
3-(2-ethylbutylamino)cyclohexane-1-carboxamide
CID 115756932
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
ethyl 3-(cyclobutylamino)-2-methylpropanoate
CID 62415345
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-cyclobutylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-cyclobutylbutane-1,2-diamine (CID 94424015) is (2S)-1-N-cyclobutylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-cyclobutylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-cyclobutylbutane-1,2-diamine is CC[C@H](N)CNC1CCC1.
What is the InChIKey of (2S)-1-N-cyclobutylbutane-1,2-diamine?
The InChIKey is BPDSJDNWXLCNCO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-7(9)6-10-8-4-3-5-8/h7-8,10H,2-6,9H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-N-cyclobutylbutane-1,2-diamine?
(2S)-1-N-cyclobutylbutane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-cyclobutylbutane-1,2-diamine is sourced from PubChem (CID 94424015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).