2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile

C12H22N2 — CID 163729776

IUPAC2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile
SMILESCC[C@@H](C)N(C1CC1C#N)[C@@H](C)CC
InChIInChI=1S/C12H22N2/c1-5-9(3)14(10(4)6-2)12-7-11(12)8-13/h9-12H,5-7H2,1-4H3/t9-,10+,11?,12?
InChIKeyKYPUVHPXBMAROV-ZYANWLCNSA-N
MW194.32 g/mol
LogP2.80
Rot. Bonds5

About 2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile

2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile (PubChem CID 163729776) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile
PubChem CID163729776
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile
SMILESCC[C@@H](C)N(C1CC1C#N)[C@@H](C)CC
InChIInChI=1S/C12H22N2/c1-5-9(3)14(10(4)6-2)12-7-11(12)8-13/h9-12H,5-7H2,1-4H3/t9-,10+,11?,12?
InChIKeyKYPUVHPXBMAROV-ZYANWLCNSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile?
The IUPAC name of 2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile (CID 163729776) is 2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile is CC[C@@H](C)N(C1CC1C#N)[C@@H](C)CC.
What is the InChIKey of 2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile?
The InChIKey is KYPUVHPXBMAROV-ZYANWLCNSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-9(3)14(10(4)6-2)12-7-11(12)8-13/h9-12H,5-7H2,1-4H3/t9-,10+,11?,12?.
What are the key properties of 2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile?
2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]cyclopropane-1-carbonitrile is sourced from PubChem (CID 163729776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).