3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile

C8H12N2 — CID 146339668

IUPAC3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile
SMILESCCNC12CC(C#N)(C1)C2
InChIInChI=1S/C8H12N2/c1-2-10-8-3-7(4-8,5-8)6-9/h10H,2-5H2,1H3
InChIKeyNFOXTYMWEURDSN-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.04
Rot. Bonds2

About 3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile

3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile (PubChem CID 146339668) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile.

Molecular Properties

Compound Name3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile
PubChem CID146339668
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile
SMILESCCNC12CC(C#N)(C1)C2
InChIInChI=1S/C8H12N2/c1-2-10-8-3-7(4-8,5-8)6-9/h10H,2-5H2,1H3
InChIKeyNFOXTYMWEURDSN-UHFFFAOYSA-N
XLogP1.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-2-methylpentanamide
CID 155375848
1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile
CID 106822380
4-(methylamino)bicyclo[2.2.2]octane-1-carbonitrile
CID 137347137
1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
CID 65045168
3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide
CID 167136227
3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile
CID 149448490
3-(ethylamino)-4-methylthiolane-3-carbonitrile
CID 130520007
2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile
CID 43115118
N-(3,5-dicyano-1-adamantyl)-2-fluoro-2-methylbutanamide
CID 21063654
1-(ethylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
CID 107754976
1-(propylamino)cyclopropane-1-carbonitrile
CID 103439401
2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79576704

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile?
The IUPAC name of 3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile (CID 146339668) is 3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile.
What is the SMILES notation for 3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile?
The canonical SMILES for 3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile is CCNC12CC(C#N)(C1)C2.
What is the InChIKey of 3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile?
The InChIKey is NFOXTYMWEURDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-10-8-3-7(4-8,5-8)6-9/h10H,2-5H2,1H3.
What are the key properties of 3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile?
3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile has a molecular weight of 136.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile is sourced from PubChem (CID 146339668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).