(Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile

C16H30N2O — CID 134997366

IUPAC(Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile
SMILESCCCCCCCCC/C(O)=C(\C#N)NC(C)(C)C
InChIInChI=1S/C16H30N2O/c1-5-6-7-8-9-10-11-12-15(19)14(13-17)18-16(2,3)4/h18-19H,5-12H2,1-4H3/b15-14-
InChIKeyWQCHMFIGLRVKQM-PFONDFGASA-N
MW266.43 g/mol
LogP4.81
Rot. Bonds9

About (Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile

(Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile (PubChem CID 134997366) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile
PubChem CID134997366
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile
SMILESCCCCCCCCC/C(O)=C(\C#N)NC(C)(C)C
InChIInChI=1S/C16H30N2O/c1-5-6-7-8-9-10-11-12-15(19)14(13-17)18-16(2,3)4/h18-19H,5-12H2,1-4H3/b15-14-
InChIKeyWQCHMFIGLRVKQM-PFONDFGASA-N
XLogP4.81
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

N-tert-butylhept-1-en-2-amine
CID 143357741
dodec-1-ene-1,1,2-triol
CID 139766623
henicosanoyl cyanide
CID 54273514
N-(2-cyanobutan-2-yl)heptanamide
CID 115599534
2-methylidenehexadecanenitrile
CID 15496090
3-methyl-2-(tetradecylamino)but-2-enenitrile
CID 141459237
N-(cyanomethyl)decanamide
CID 62399737
9,10-dihydroxyhexadec-9-enoic acid
CID 173275497
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
3-oxoicosanenitrile
CID 86112525
CID 57488644
CID 57488644
octadecanoic acid;hydrate
CID 86588300

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile?
The IUPAC name of (Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile (CID 134997366) is (Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile.
What is the SMILES notation for (Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile?
The canonical SMILES for (Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile is CCCCCCCCC/C(O)=C(\C#N)NC(C)(C)C.
What is the InChIKey of (Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile?
The InChIKey is WQCHMFIGLRVKQM-PFONDFGASA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-6-7-8-9-10-11-12-15(19)14(13-17)18-16(2,3)4/h18-19H,5-12H2,1-4H3/b15-14-.
What are the key properties of (Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile?
(Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile has a molecular weight of 266.43 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(tert-butylamino)-3-hydroxydodec-2-enenitrile is sourced from PubChem (CID 134997366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).