cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile

C10H18N2 — CID 129368082

IUPACcis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile
SMILESCC[C@H](C)N[C@H]1CCC[C@@H]1C#N
InChIInChI=1S/C10H18N2/c1-3-8(2)12-10-6-4-5-9(10)7-11/h8-10,12H,3-6H2,1-2H3/t8-,9+,10-/m0/s1
InChIKeySHCVLJNLUYMWHU-AEJSXWLSSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds3

About cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile

cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile (PubChem CID 129368082) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile
PubChem CID129368082
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Namecis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile
SMILESCC[C@H](C)N[C@H]1CCC[C@@H]1C#N
InChIInChI=1S/C10H18N2/c1-3-8(2)12-10-6-4-5-9(10)7-11/h8-10,12H,3-6H2,1-2H3/t8-,9+,10-/m0/s1
InChIKeySHCVLJNLUYMWHU-AEJSXWLSSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile (CID 129368082) is cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile is CC[C@H](C)N[C@H]1CCC[C@@H]1C#N.
What is the InChIKey of cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile?
The InChIKey is SHCVLJNLUYMWHU-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-8(2)12-10-6-4-5-9(10)7-11/h8-10,12H,3-6H2,1-2H3/t8-,9+,10-/m0/s1.
What are the key properties of cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile?
cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 129368082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).