trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile

C9H16N2 — CID 94580454

IUPACtrans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)N[C@H]1CCC[C@H]1C#N
InChIInChI=1S/C9H16N2/c1-7(2)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3/t8-,9-/m0/s1
InChIKeyXFDRCMQLWPMGHU-IUCAKERBSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds2

About trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile

trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 94580454) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID94580454
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Nametrans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)N[C@H]1CCC[C@H]1C#N
InChIInChI=1S/C9H16N2/c1-7(2)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3/t8-,9-/m0/s1
InChIKeyXFDRCMQLWPMGHU-IUCAKERBSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 94580454) is trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile is CC(C)N[C@H]1CCC[C@H]1C#N.
What is the InChIKey of trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is XFDRCMQLWPMGHU-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile?
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 94580454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).