(5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol

C14H25NO — CID 142148063

IUPAC(5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol
SMILESC=C/C=C\C(=C)C(C)(O)CCN(C)CCC
InChIInChI=1S/C14H25NO/c1-6-8-9-13(3)14(4,16)10-12-15(5)11-7-2/h6,8-9,16H,1,3,7,10-12H2,2,4-5H3/b9-8-
InChIKeyDKSPGHKEOORFMX-HJWRWDBZSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds8

About (5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol

(5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol (PubChem CID 142148063) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol.

Molecular Properties

Compound Name(5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol
PubChem CID142148063
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol
SMILESC=C/C=C\C(=C)C(C)(O)CCN(C)CCC
InChIInChI=1S/C14H25NO/c1-6-8-9-13(3)14(4,16)10-12-15(5)11-7-2/h6,8-9,16H,1,3,7,10-12H2,2,4-5H3/b9-8-
InChIKeyDKSPGHKEOORFMX-HJWRWDBZSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol?
The IUPAC name of (5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol (CID 142148063) is (5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol.
What is the SMILES notation for (5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol?
The canonical SMILES for (5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol is C=C/C=C\C(=C)C(C)(O)CCN(C)CCC.
What is the InChIKey of (5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol?
The InChIKey is DKSPGHKEOORFMX-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-8-9-13(3)14(4,16)10-12-15(5)11-7-2/h6,8-9,16H,1,3,7,10-12H2,2,4-5H3/b9-8-.
What are the key properties of (5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol?
(5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol has a molecular weight of 223.36 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-4-methylidene-1-[methyl(propyl)amino]octa-5,7-dien-3-ol is sourced from PubChem (CID 142148063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).