(2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol

C10H19NO — CID 144635801

IUPAC(2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol
SMILESC/C=C\C=C(\CN)CC[C@@H](C)O
InChIInChI=1S/C10H19NO/c1-3-4-5-10(8-11)7-6-9(2)12/h3-5,9,12H,6-8,11H2,1-2H3/b4-3-,10-5+/t9-/m1/s1
InChIKeyRAURIWPAEDJCON-KXCBHFNJSA-N
MW169.27 g/mol
LogP1.61
Rot. Bonds5

About (2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol

(2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol (PubChem CID 144635801) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol.

Molecular Properties

Compound Name(2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol
PubChem CID144635801
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol
SMILESC/C=C\C=C(\CN)CC[C@@H](C)O
InChIInChI=1S/C10H19NO/c1-3-4-5-10(8-11)7-6-9(2)12/h3-5,9,12H,6-8,11H2,1-2H3/b4-3-,10-5+/t9-/m1/s1
InChIKeyRAURIWPAEDJCON-KXCBHFNJSA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,3Z,4Z)-4-(aminomethyl)-2-ethylidene-3-prop-2-enylidenehepta-4,6-dien-1-ol;ethane
CID 141952959
(4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol
CID 142409612
(6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol
CID 142589710
4-Amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol
CID 143093994
4-Amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol
CID 143110144
2-amino-4-methyl-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol;ethane
CID 143342654
2-amino-4-methyl-3-[(Z)-pent-1-enyl]cyclopent-3-en-1-ol
CID 143601855
(4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol;ethane
CID 153544568
(Z)-5-(2-aminoethyl)-4-methylidenehept-5-en-2-ol
CID 164057001
Cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium
CID 172605218
(E)-1-aminooct-6-en-2-ol
CID 101275253
(E)-1-aminonon-6-en-2-ol
CID 101275258

Frequently Asked Questions

What is the IUPAC name of (2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol?
The IUPAC name of (2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol (CID 144635801) is (2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol.
What is the SMILES notation for (2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol?
The canonical SMILES for (2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol is C/C=C\C=C(\CN)CC[C@@H](C)O.
What is the InChIKey of (2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol?
The InChIKey is RAURIWPAEDJCON-KXCBHFNJSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-10(8-11)7-6-9(2)12/h3-5,9,12H,6-8,11H2,1-2H3/b4-3-,10-5+/t9-/m1/s1.
What are the key properties of (2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol?
(2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol is sourced from PubChem (CID 144635801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).