(2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol

C10H17NO — CID 134185291

IUPAC(2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol
SMILESC/C=C\C=C\C=C(/NC)[C@@H](C)O
InChIInChI=1S/C10H17NO/c1-4-5-6-7-8-10(11-3)9(2)12/h4-9,11-12H,1-3H3/b5-4-,7-6+,10-8-/t9-/m1/s1
InChIKeyLBBPDNNLGROZOS-VJGJHDGYSA-N
MW167.25 g/mol
LogP1.60
Rot. Bonds4

About (2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol

(2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol (PubChem CID 134185291) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol.

Molecular Properties

Compound Name(2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol
PubChem CID134185291
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol
SMILESC/C=C\C=C\C=C(/NC)[C@@H](C)O
InChIInChI=1S/C10H17NO/c1-4-5-6-7-8-10(11-3)9(2)12/h4-9,11-12H,1-3H3/b5-4-,7-6+,10-8-/t9-/m1/s1
InChIKeyLBBPDNNLGROZOS-VJGJHDGYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
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 (2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol?
The IUPAC name of (2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol (CID 134185291) is (2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol.
What is the SMILES notation for (2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol?
The canonical SMILES for (2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol is C/C=C\C=C\C=C(/NC)[C@@H](C)O.
What is the InChIKey of (2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol?
The InChIKey is LBBPDNNLGROZOS-VJGJHDGYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-7-8-10(11-3)9(2)12/h4-9,11-12H,1-3H3/b5-4-,7-6+,10-8-/t9-/m1/s1.
What are the key properties of (2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol?
(2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3Z,5E,7Z)-3-(methylamino)nona-3,5,7-trien-2-ol is sourced from PubChem (CID 134185291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).