(2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile

C8H12N2 — CID 55285576

IUPAC(2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile
SMILESN#C[C@]1(N)CCC2CC1C2
InChIInChI=1S/C8H12N2/c9-5-8(10)2-1-6-3-7(8)4-6/h6-7H,1-4,10H2/t6?,7?,8-/m1/s1
InChIKeyBPGMKCPKZQEBBG-KAVNDROISA-N
MW136.20 g/mol
LogP1.03
Rot. Bonds

About (2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile

(2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile (PubChem CID 55285576) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name(2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile
PubChem CID55285576
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile
SMILESN#C[C@]1(N)CCC2CC1C2
InChIInChI=1S/C8H12N2/c9-5-8(10)2-1-6-3-7(8)4-6/h6-7H,1-4,10H2/t6?,7?,8-/m1/s1
InChIKeyBPGMKCPKZQEBBG-KAVNDROISA-N
XLogP1.03
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methylbicyclo[3.1.1]heptan-2-amine
CID 55290522
bicyclo[2.2.1]heptane-1-carbonitrile
CID 517818
tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile
CID 139970843
bicyclo[2.2.2]octan-1-amine
CID 550214
3-amino-2-methylpiperidine-3-carbonitrile
CID 131218847
2-(1-hydroxy-3-methylcyclohexyl)bicyclo[2.2.1]heptane-2-carbonitrile
CID 113383670
cis-(1S,2S)-1-amino-2-ethylcyclopropane-1-carbonitrile
CID 11768533
cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile
CID 97000127
(1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium
CID 69301855
1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile
CID 79572666
1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile
CID 123554042
1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile?
The IUPAC name of (2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile (CID 55285576) is (2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile.
What is the SMILES notation for (2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile?
The canonical SMILES for (2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile is N#C[C@]1(N)CCC2CC1C2.
What is the InChIKey of (2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile?
The InChIKey is BPGMKCPKZQEBBG-KAVNDROISA-N. The full InChI is InChI=1S/C8H12N2/c9-5-8(10)2-1-6-3-7(8)4-6/h6-7H,1-4,10H2/t6?,7?,8-/m1/s1.
What are the key properties of (2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile?
(2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile has a molecular weight of 136.20 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile is sourced from PubChem (CID 55285576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).