cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile

C8H14N2 — CID 134504917

IUPACcis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile
SMILESCNC(C)[C@H]1CC[C@@H]1C#N
InChIInChI=1S/C8H14N2/c1-6(10-2)8-4-3-7(8)5-9/h6-8,10H,3-4H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyINGUPSHYCDKVPM-SPDVFEMOSA-N
MW138.21 g/mol
LogP1.14
Rot. Bonds2

About cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile

cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile (PubChem CID 134504917) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile
PubChem CID134504917
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Namecis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile
SMILESCNC(C)[C@H]1CC[C@@H]1C#N
InChIInChI=1S/C8H14N2/c1-6(10-2)8-4-3-7(8)5-9/h6-8,10H,3-4H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyINGUPSHYCDKVPM-SPDVFEMOSA-N
XLogP1.14
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-ylcyclobutane-1-carbonitrile
CID 122449449
2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile
CID 68839598
5-bromo-2-propan-2-ylcyclohexane-1-carbonitrile
CID 165498220
(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 93286230
N-methyl-1-[(2S)-2-methylcyclohexyl]ethanamine
CID 89083214
cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile
CID 89002737
1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine
CID 135191136
2-[1-(2-cyano-2-propan-2-ylcyclopropyl)propan-2-yl]cyclobutane-1-carbonitrile
CID 138580085
2-methylcyclobutane-1-carbonitrile
CID 105426925
1-cyclopropyl-N-methylethanamine;hydrochloride
CID 24649766
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580452
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580454

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile?
The IUPAC name of cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile (CID 134504917) is cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile?
The canonical SMILES for cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile is CNC(C)[C@H]1CC[C@@H]1C#N.
What is the InChIKey of cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile?
The InChIKey is INGUPSHYCDKVPM-SPDVFEMOSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(10-2)8-4-3-7(8)5-9/h6-8,10H,3-4H2,1-2H3/t6?,7-,8-/m1/s1.
What are the key properties of cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile?
cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 134504917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).