(Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol

C12H23NO — CID 155029838

IUPAC(Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol
SMILESCC(/N=C(\C)C(C)(C)C)=C(/O)C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)11(14)9(3)13-10(4)12(5,6)7/h8,14H,1-7H3/b11-9-,13-10+
InChIKeyBZMLYHBTWVSNLG-SZJZEYKYSA-N
MW197.32 g/mol
LogP3.94
Rot. Bonds2

About (Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol

(Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol (PubChem CID 155029838) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol.

Molecular Properties

Compound Name(Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol
PubChem CID155029838
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol
SMILESCC(/N=C(\C)C(C)(C)C)=C(/O)C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)11(14)9(3)13-10(4)12(5,6)7/h8,14H,1-7H3/b11-9-,13-10+
InChIKeyBZMLYHBTWVSNLG-SZJZEYKYSA-N
XLogP3.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-3,3-dimethylbutan-2-ylideneamino]-N-methylpropan-2-amine
CID 126709395
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-methylpropan-2-amine
CID 18594020
N-(2,3-dimethylbutan-2-yl)-3-methylbutan-2-imine
CID 118217255
N-[(Z)-3,3-dimethylbut-1-enyl]-3,3-dimethylbutan-2-imine
CID 59179945
3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine
CID 167253194
N-(3,3-dimethylbutan-2-ylideneamino)methanamine
CID 86118020
2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol
CID 23261380
3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine
CID 174243879
N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide
CID 142063019
(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol
CID 143682411
3-chloro-3-methyl-N-propan-2-ylbutan-2-imine
CID 12696210
methane;3-methylbutan-2-one;2,2,4-trimethylpentan-3-one
CID 159361320

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol?
The IUPAC name of (Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol (CID 155029838) is (Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol.
What is the SMILES notation for (Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol?
The canonical SMILES for (Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol is CC(/N=C(\C)C(C)(C)C)=C(/O)C(C)C.
What is the InChIKey of (Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol?
The InChIKey is BZMLYHBTWVSNLG-SZJZEYKYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)11(14)9(3)13-10(4)12(5,6)7/h8,14H,1-7H3/b11-9-,13-10+.
What are the key properties of (Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol?
(Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol has a molecular weight of 197.32 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,3-dimethylbutan-2-ylideneamino)-4-methylpent-2-en-3-ol is sourced from PubChem (CID 155029838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).