(2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol

C15H27NO — CID 5367883

IUPAC(2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(CCN1CCCC1)/C(C)=C/C
InChIInChI=1S/C15H27NO/c1-5-13(3)15(17,14(4)6-2)9-12-16-10-7-8-11-16/h5-6,17H,7-12H2,1-4H3/b13-5+,14-6+
InChIKeyOHMZMMKVWPLNMK-ACFHMISVSA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds5

About (2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol

(2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol (PubChem CID 5367883) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol.

Molecular Properties

Compound Name(2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol
PubChem CID5367883
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(CCN1CCCC1)/C(C)=C/C
InChIInChI=1S/C15H27NO/c1-5-13(3)15(17,14(4)6-2)9-12-16-10-7-8-11-16/h5-6,17H,7-12H2,1-4H3/b13-5+,14-6+
InChIKeyOHMZMMKVWPLNMK-ACFHMISVSA-N
XLogP3.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-Dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol
CID 558665
(2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 15657128
4-[(Dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 53687643
4-Hydroxy-4-(dimethylamino-ethyl)-3,5-dimethyl-2,5-heptadiene
CID 54506043
4-But-2-en-2-yl-1-methylpiperidin-4-ol
CID 91525335
(5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol
CID 142148063
(2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 10867575
1-Cyclopropyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol
CID 79189460
1-Methyl-4-(2-methylprop-1-enyl)piperidin-4-ol
CID 79189672
1-Ethyl-4-(2-methylprop-1-enyl)piperidin-4-ol
CID 79189783
4-(2-Methylprop-1-enyl)-1-propylpiperidin-4-ol
CID 79189895
4-(2-Methylprop-1-enyl)-1-propan-2-ylpiperidin-4-ol
CID 79190005

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol?
The IUPAC name of (2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol (CID 5367883) is (2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol.
What is the SMILES notation for (2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol?
The canonical SMILES for (2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol is C/C=C(\C)C(O)(CCN1CCCC1)/C(C)=C/C.
What is the InChIKey of (2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol?
The InChIKey is OHMZMMKVWPLNMK-ACFHMISVSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-13(3)15(17,14(4)6-2)9-12-16-10-7-8-11-16/h5-6,17H,7-12H2,1-4H3/b13-5+,14-6+.
What are the key properties of (2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol?
(2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol has a molecular weight of 237.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-3,5-dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol is sourced from PubChem (CID 5367883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).