(2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol

C14H25NO — CID 142933402

IUPAC(2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol
SMILESC=C(CCNC)C(=CC/C(O)=C\C)CCC
InChIInChI=1S/C14H25NO/c1-5-7-13(8-9-14(16)6-2)12(3)10-11-15-4/h6,8,15-16H,3,5,7,9-11H2,1-2,4H3/b13-8?,14-6+
InChIKeyXSXZSFIYFSOKJN-FYWBDWHJSA-N
MW223.36 g/mol
LogP3.73
Rot. Bonds8

About (2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol

(2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol (PubChem CID 142933402) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol.

Molecular Properties

Compound Name(2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol
PubChem CID142933402
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol
SMILESC=C(CCNC)C(=CC/C(O)=C\C)CCC
InChIInChI=1S/C14H25NO/c1-5-7-13(8-9-14(16)6-2)12(3)10-11-15-4/h6,8,15-16H,3,5,7,9-11H2,1-2,4H3/b13-8?,14-6+
InChIKeyXSXZSFIYFSOKJN-FYWBDWHJSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.73
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)-6-methyl-5-[2-(methylamino)ethyl]hepta-2,4,6-triene-2,3-diol
CID 126729831
4-[2-(Methylamino)ethyl]cyclohexa-1,3-dien-1-ol
CID 143147802
(3Z,5Z,8E)-6-[3-(methylamino)propyl]undeca-3,5,8-triene-3,4-diol
CID 163517764

Frequently Asked Questions

What is the IUPAC name of (2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol?
The IUPAC name of (2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol (CID 142933402) is (2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol.
What is the SMILES notation for (2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol?
The canonical SMILES for (2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol is C=C(CCNC)C(=CC/C(O)=C\C)CCC.
What is the InChIKey of (2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol?
The InChIKey is XSXZSFIYFSOKJN-FYWBDWHJSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-7-13(8-9-14(16)6-2)12(3)10-11-15-4/h6,8,15-16H,3,5,7,9-11H2,1-2,4H3/b13-8?,14-6+.
What are the key properties of (2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol?
(2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol has a molecular weight of 223.36 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol is sourced from PubChem (CID 142933402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).