(6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal

C15H25NO3 — CID 142274377

IUPAC(6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal
SMILESC=C(/C=C\C(O)=C(/C)OCCCN)CCC(C)C=O
InChIInChI=1S/C15H25NO3/c1-12(5-6-13(2)11-17)7-8-15(18)14(3)19-10-4-9-16/h7-8,11,13,18H,1,4-6,9-10,16H2,2-3H3/b8-7-,15-14-
InChIKeyIJXMQVSPZIGPPB-XWUSKMMESA-N
MW267.37 g/mol
LogP2.87
Rot. Bonds10

About (6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal

(6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal (PubChem CID 142274377) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal.

Molecular Properties

Compound Name(6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal
PubChem CID142274377
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal
SMILESC=C(/C=C\C(O)=C(/C)OCCCN)CCC(C)C=O
InChIInChI=1S/C15H25NO3/c1-12(5-6-13(2)11-17)7-8-15(18)14(3)19-10-4-9-16/h7-8,11,13,18H,1,4-6,9-10,16H2,2-3H3/b8-7-,15-14-
InChIKeyIJXMQVSPZIGPPB-XWUSKMMESA-N
XLogP2.87
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-4-(1-propoxyethenylamino)butanal
CID 137474418
(2R)-2-methyl-5-methylideneheptanal
CID 10240896
(5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol
CID 174314739
2-methyl-6-oxoheptanal
CID 14561323
(E)-2-methyl-5,8-dioxonon-6-enal
CID 58435612
1-(3-aminopropoxy)ethenol
CID 176659165
3-aminopropyl 2-methylpropanoate
CID 59078098
3-[1-(methylamino)ethenoxy]propan-1-amine
CID 126663440
(2S)-2,6-dimethyl-5-oxoheptanal
CID 10511104
methyl 4-methyl-5-oxopentanoate;methyl 6-oxohexanoate
CID 159888667
acetic acid;propane-1,3-diamine
CID 158444659
3-aminopropyl formate;propan-2-amine
CID 175555477

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal?
The IUPAC name of (6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal (CID 142274377) is (6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal.
What is the SMILES notation for (6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal?
The canonical SMILES for (6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal is C=C(/C=C\C(O)=C(/C)OCCCN)CCC(C)C=O.
What is the InChIKey of (6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal?
The InChIKey is IJXMQVSPZIGPPB-XWUSKMMESA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(5-6-13(2)11-17)7-8-15(18)14(3)19-10-4-9-16/h7-8,11,13,18H,1,4-6,9-10,16H2,2-3H3/b8-7-,15-14-.
What are the key properties of (6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal?
(6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal has a molecular weight of 267.37 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-9-(3-aminopropoxy)-8-hydroxy-2-methyl-5-methylidenedeca-6,8-dienal is sourced from PubChem (CID 142274377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).