(Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol

C11H21NO — CID 163447104

IUPAC(Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol
SMILESC/C=C(\O)CCN(C)CC=C(C)C
InChIInChI=1S/C11H21NO/c1-5-11(13)7-9-12(4)8-6-10(2)3/h5-6,13H,7-9H2,1-4H3/b11-5-
InChIKeyBDLFYRZRFHAVDU-WZUFQYTHSA-N
MW183.29 g/mol
LogP2.74
Rot. Bonds5

About (Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol

(Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol (PubChem CID 163447104) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol.

Molecular Properties

Compound Name(Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol
PubChem CID163447104
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol
SMILESC/C=C(\O)CCN(C)CC=C(C)C
InChIInChI=1S/C11H21NO/c1-5-11(13)7-9-12(4)8-6-10(2)3/h5-6,13H,7-9H2,1-4H3/b11-5-
InChIKeyBDLFYRZRFHAVDU-WZUFQYTHSA-N
XLogP2.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,6-Tetrahydro-1-methyl-4-pyridinol
CID 10034611
1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol
CID 59019098
1,5-dimethyl-3,6-dihydro-2H-pyridin-4-ol
CID 60060401
1-propan-2-yl-3,6-dihydro-2H-pyridin-4-ol
CID 68384112
(4E)-4-methyl-6-[[methyl(propyl)amino]methyl]hepta-1,4,6-trien-2-ol
CID 89659199
(2E)-4-[(dimethylamino)methyl]penta-2,4-dien-2-ol
CID 132096079
(E)-4-[2-methylpropyl-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]but-2-en-2-ol
CID 143115661
1-Methyl-2,3,6,7-tetrahydroazepin-4-ol
CID 163247622
1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol
CID 167033333
1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol
CID 171621947
5-(Diethylamino)pent-2-en-3-ol
CID 173506179
1-Propan-2-yl-2,3,6,7-tetrahydroazepin-4-ol
CID 176637100

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol?
The IUPAC name of (Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol (CID 163447104) is (Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol.
What is the SMILES notation for (Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol?
The canonical SMILES for (Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol is C/C=C(\O)CCN(C)CC=C(C)C.
What is the InChIKey of (Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol?
The InChIKey is BDLFYRZRFHAVDU-WZUFQYTHSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-11(13)7-9-12(4)8-6-10(2)3/h5-6,13H,7-9H2,1-4H3/b11-5-.
What are the key properties of (Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol?
(Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol has a molecular weight of 183.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol is sourced from PubChem (CID 163447104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).