(3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol

C9H17NO — CID 143052416

IUPAC(3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol
SMILESC=C(/C=C(\O)C(C)(C)C)NC
InChIInChI=1S/C9H17NO/c1-7(10-5)6-8(11)9(2,3)4/h6,10-11H,1H2,2-5H3/b8-6-
InChIKeyKEELNUDBMHMLBA-VURMDHGXSA-N
MW155.24 g/mol
LogP2.21
Rot. Bonds2

About (3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol

(3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol (PubChem CID 143052416) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol.

Molecular Properties

Compound Name(3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol
PubChem CID143052416
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol
SMILESC=C(/C=C(\O)C(C)(C)C)NC
InChIInChI=1S/C9H17NO/c1-7(10-5)6-8(11)9(2,3)4/h6,10-11H,1H2,2-5H3/b8-6-
InChIKeyKEELNUDBMHMLBA-VURMDHGXSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol
CID 129308737
(3Z,5E)-4-ethyl-2-methyl-6-(methylamino)octa-1,3,5-trien-3-ol
CID 141920029
(3Z)-2-methyl-4-(methylamino)hexa-1,3,5-trien-3-ol
CID 142999523
(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane
CID 143051944
4-(Methylamino)cyclohepta-1,3,5-trien-1-ol
CID 143531361
[(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-yl]oxidanium
CID 145341600
triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium
CID 146259255
3-(Methylamino)cyclohexa-1,3-dien-1-ol
CID 146807450
(2E,4E)-5-(methylamino)hepta-2,4-dien-2-ol
CID 154534037
(3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol
CID 166892548
(3E)-4-methoxy-N,5,5-trimethylhexa-1,3-dien-2-amine
CID 167184980
Ethane;3-(propan-2-ylamino)cyclohexa-1,3-dien-1-ol
CID 168199391

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol?
The IUPAC name of (3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol (CID 143052416) is (3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol.
What is the SMILES notation for (3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol?
The canonical SMILES for (3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol is C=C(/C=C(\O)C(C)(C)C)NC.
What is the InChIKey of (3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol?
The InChIKey is KEELNUDBMHMLBA-VURMDHGXSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(10-5)6-8(11)9(2,3)4/h6,10-11H,1H2,2-5H3/b8-6-.
What are the key properties of (3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol?
(3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol has a molecular weight of 155.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol is sourced from PubChem (CID 143052416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).