(3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol

C10H19NO — CID 135056781

IUPAC(3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol
SMILESC=C(/C=C(\O)CCC)NC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-10(12)7-9(4)11-8(2)3/h7-8,11-12H,4-6H2,1-3H3/b10-7-
InChIKeyUJYOIDZTIKQZKC-YFHOEESVSA-N
MW169.27 g/mol
LogP2.74
Rot. Bonds5

About (3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol

(3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol (PubChem CID 135056781) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol.

Molecular Properties

Compound Name(3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol
PubChem CID135056781
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol
SMILESC=C(/C=C(\O)CCC)NC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-10(12)7-9(4)11-8(2)3/h7-8,11-12H,4-6H2,1-3H3/b10-7-
InChIKeyUJYOIDZTIKQZKC-YFHOEESVSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.74
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

2,3-dimethyl-6-methylidene-2,3-dihydro-1H-pyridin-4-ol
CID 54370048
3-[Methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol
CID 89224469
5-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 90162925
(2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol
CID 143284640
(4E,6E)-8-(propylamino)octa-4,6-dien-4-ol
CID 143595513
3-(Methylamino)cyclohexa-1,3-dien-1-ol
CID 146807450
4-(Ethylamino)cyclohexa-1,3-dien-1-ol
CID 155441693
3-(Tert-butylamino)cyclohexa-1,3-dien-1-ol
CID 166169291
(3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol
CID 166892548
Ethane;3-(propan-2-ylamino)cyclohexa-1,3-dien-1-ol
CID 168199391
(3Z)-2,2-dimethyl-5-(methylamino)hexa-3,5-dien-3-ol
CID 143052416
(3E,5E)-6-(ethenylamino)hepta-3,5-dien-3-ol
CID 145513271

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol?
The IUPAC name of (3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol (CID 135056781) is (3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol.
What is the SMILES notation for (3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol?
The canonical SMILES for (3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol is C=C(/C=C(\O)CCC)NC(C)C.
What is the InChIKey of (3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol?
The InChIKey is UJYOIDZTIKQZKC-YFHOEESVSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-10(12)7-9(4)11-8(2)3/h7-8,11-12H,4-6H2,1-3H3/b10-7-.
What are the key properties of (3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol?
(3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol has a molecular weight of 169.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol is sourced from PubChem (CID 135056781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).