[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium

C16H28N3O+ — CID 9265619

IUPAC[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium
SMILESC[C@@](C#N)(NC(=O)C[NH2+]C1CCCCCCC1)C1CC1
InChIInChI=1S/C16H27N3O/c1-16(12-17,13-9-10-13)19-15(20)11-18-14-7-5-3-2-4-6-8-14/h13-14,18H,2-11H2,1H3,(H,19,20)/p+1/t16-/m0/s1
InChIKeyPKUSSDXTQKHHMV-INIZCTEOSA-O
MW278.42 g/mol
LogP1.47
Rot. Bonds5

About [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium

[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium (PubChem CID 9265619) has the molecular formula C16H28N3O+ and a molecular weight of 278.42 g/mol. Its IUPAC name is [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium.

Molecular Properties

Compound Name[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium
PubChem CID9265619
Molecular FormulaC16H28N3O+
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium
SMILESC[C@@](C#N)(NC(=O)C[NH2+]C1CCCCCCC1)C1CC1
InChIInChI=1S/C16H27N3O/c1-16(12-17,13-9-10-13)19-15(20)11-18-14-7-5-3-2-4-6-8-14/h13-14,18H,2-11H2,1H3,(H,19,20)/p+1/t16-/m0/s1
InChIKeyPKUSSDXTQKHHMV-INIZCTEOSA-O
XLogP1.47
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide
CID 95628214
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-oxopropylsulfanyl)acetamide
CID 96568406
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 11923830
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(1,4-thiazepan-4-yl)acetamide
CID 97100147
methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835554
N-(1-cyano-1-cyclopropylethyl)-2-(3,5-dichloroanilino)acetamide
CID 47109692
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,3S)-3-hydroxybutan-2-yl]sulfanylacetamide
CID 96537724
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133831
N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485470
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 51862267
2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 37471767

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium?
The IUPAC name of [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium (CID 9265619) is [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium.
What is the SMILES notation for [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium?
The canonical SMILES for [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium is C[C@@](C#N)(NC(=O)C[NH2+]C1CCCCCCC1)C1CC1.
What is the InChIKey of [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium?
The InChIKey is PKUSSDXTQKHHMV-INIZCTEOSA-O. The full InChI is InChI=1S/C16H27N3O/c1-16(12-17,13-9-10-13)19-15(20)11-18-14-7-5-3-2-4-6-8-14/h13-14,18H,2-11H2,1H3,(H,19,20)/p+1/t16-/m0/s1.
What are the key properties of [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium?
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium has a molecular weight of 278.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-cyclooctylazanium is sourced from PubChem (CID 9265619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).