(2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol

C10H19NO — CID 134533621

IUPAC(2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol
SMILESC/C=C\C=C/[C@@H](C)[C@H](O)[C@H](C)N
InChIInChI=1S/C10H19NO/c1-4-5-6-7-8(2)10(12)9(3)11/h4-10,12H,11H2,1-3H3/b5-4-,7-6-/t8-,9+,10+/m1/s1
InChIKeyHMQITBFVRFCCMR-DHIBESHYSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds4

About (2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol

(2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol (PubChem CID 134533621) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol.

Molecular Properties

Compound Name(2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol
PubChem CID134533621
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol
SMILESC/C=C\C=C/[C@@H](C)[C@H](O)[C@H](C)N
InChIInChI=1S/C10H19NO/c1-4-5-6-7-8(2)10(12)9(3)11/h4-10,12H,11H2,1-3H3/b5-4-,7-6-/t8-,9+,10+/m1/s1
InChIKeyHMQITBFVRFCCMR-DHIBESHYSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol with MolForge

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Launch Full Analysis

Related Compounds

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(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol
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crucigasterin A
CID 14235824
(2R,3S,5E,9Z,12Z,15Z)-2-aminooctadeca-5,9,12,15-tetraen-3-ol
CID 23427562
(2R,3S,5E,9Z,12Z,15Z)-2-aminooctadeca-5,9,12,15,17-pentaen-3-ol
CID 23427563
Crucigasterin 275
CID 134715062
(2S,3R,5E,7E)-2-aminotetradeca-5,7-dien-3-ol
CID 14235825
(Z,2S)-2-amino-6-methylhept-3-en-1-ol
CID 178325004
(2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol
CID 11413472
1-Cyclohexa-2,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 20758180
(Z)-2-aminohept-5-en-3-ol
CID 54478582
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol?
The IUPAC name of (2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol (CID 134533621) is (2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol.
What is the SMILES notation for (2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol?
The canonical SMILES for (2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol is C/C=C\C=C/[C@@H](C)[C@H](O)[C@H](C)N.
What is the InChIKey of (2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol?
The InChIKey is HMQITBFVRFCCMR-DHIBESHYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-7-8(2)10(12)9(3)11/h4-10,12H,11H2,1-3H3/b5-4-,7-6-/t8-,9+,10+/m1/s1.
What are the key properties of (2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol?
(2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5Z,7Z)-2-amino-4-methylnona-5,7-dien-3-ol is sourced from PubChem (CID 134533621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).