trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile

C14H22N2 — CID 97258714

IUPACtrans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#C[C@@H]1CCC[C@@H]1NCC1(C2CC2)CCC1
InChIInChI=1S/C14H22N2/c15-9-11-3-1-4-13(11)16-10-14(7-2-8-14)12-5-6-12/h11-13,16H,1-8,10H2/t11-,13-/m0/s1
InChIKeyVVRJSYSEOLGPFP-AAEUAGOBSA-N
MW218.34 g/mol
LogP2.85
Rot. Bonds4

About trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile

trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 97258714) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
PubChem CID97258714
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Nametrans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#C[C@@H]1CCC[C@@H]1NCC1(C2CC2)CCC1
InChIInChI=1S/C14H22N2/c15-9-11-3-1-4-13(11)16-10-14(7-2-8-14)12-5-6-12/h11-13,16H,1-8,10H2/t11-,13-/m0/s1
InChIKeyVVRJSYSEOLGPFP-AAEUAGOBSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 103917793
2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile
CID 114094873
2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile
CID 114119443
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile
CID 114756575
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]cycloheptane-1-carbonitrile
CID 65116579
2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 62742040
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
2-[(2-methylthiolan-2-yl)methylamino]cycloheptane-1-carbonitrile
CID 80723726
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile
CID 131232100
2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 114941959
2-(2-methylsulfanylethylamino)cycloheptane-1-carbonitrile
CID 63965986

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile (CID 97258714) is trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile is N#C[C@@H]1CCC[C@@H]1NCC1(C2CC2)CCC1.
What is the InChIKey of trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is VVRJSYSEOLGPFP-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H22N2/c15-9-11-3-1-4-13(11)16-10-14(7-2-8-14)12-5-6-12/h11-13,16H,1-8,10H2/t11-,13-/m0/s1.
What are the key properties of trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile?
trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 218.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 97258714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).