trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile

C8H14N2 — CID 50989539

IUPACtrans-(1R,2S)-2-aminocycloheptane-1-carbonitrile
SMILESN#C[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C8H14N2/c9-6-7-4-2-1-3-5-8(7)10/h7-8H,1-5,10H2/t7-,8-/m0/s1
InChIKeyAVGTVOQLWAIQOG-YUMQZZPRSA-N
MW138.21 g/mol
LogP1.42
Rot. Bonds

About trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile

trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile (PubChem CID 50989539) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1R,2S)-2-aminocycloheptane-1-carbonitrile
PubChem CID50989539
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Nametrans-(1R,2S)-2-aminocycloheptane-1-carbonitrile
SMILESN#C[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C8H14N2/c9-6-7-4-2-1-3-5-8(7)10/h7-8H,1-5,10H2/t7-,8-/m0/s1
InChIKeyAVGTVOQLWAIQOG-YUMQZZPRSA-N
XLogP1.42
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile
CID 94580475
trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile
CID 50989537
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
cyclopentane-1,2-dicarbonitrile
CID 19807606
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
(2R)-2-aminocyclopropane-1-carbonitrile;hydrochloride
CID 154574514
2-hydroxycyclohexane-1-carbonitrile
CID 543100
tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
CID 139176759
chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
CID 139198738
4-aminooxane-3-carbonitrile
CID 105427274
2-(dimethylamino)cycloheptane-1-carbonitrile
CID 43291764
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile?
The IUPAC name of trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile (CID 50989539) is trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile.
What is the SMILES notation for trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile?
The canonical SMILES for trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile is N#C[C@@H]1CCCCC[C@@H]1N.
What is the InChIKey of trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile?
The InChIKey is AVGTVOQLWAIQOG-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14N2/c9-6-7-4-2-1-3-5-8(7)10/h7-8H,1-5,10H2/t7-,8-/m0/s1.
What are the key properties of trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile?
trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile is sourced from PubChem (CID 50989539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).