(2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol

C10H19NO — CID 170406622

IUPAC(2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol
SMILESCCCC/C=C(O)\C=C/CNC
InChIInChI=1S/C10H19NO/c1-3-4-5-7-10(12)8-6-9-11-2/h6-8,11-12H,3-5,9H2,1-2H3/b8-6-,10-7+
InChIKeyXUAZQOWIDBKHSN-GOOBONSCSA-N
MW169.27 g/mol
LogP2.39
Rot. Bonds6

About (2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol

(2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol (PubChem CID 170406622) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol.

Molecular Properties

Compound Name(2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol
PubChem CID170406622
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol
SMILESCCCC/C=C(O)\C=C/CNC
InChIInChI=1S/C10H19NO/c1-3-4-5-7-10(12)8-6-9-11-2/h6-8,11-12H,3-5,9H2,1-2H3/b8-6-,10-7+
InChIKeyXUAZQOWIDBKHSN-GOOBONSCSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methylhept-2-en-2-amine
CID 90448408
(Z)-4-(methylamino)but-2-enoic acid
CID 148708866
N-methylhex-2-en-1-amine
CID 85238647
N-methyloct-3-en-1-amine
CID 79592255
(1Z,3E)-N,2-dimethylocta-1,3-dien-1-amine
CID 138648930
(Z)-2-methoxyhept-2-ene
CID 21160203
(E)-2-methoxyhept-2-enoic acid
CID 87190436
(Z)-N-(methylideneamino)hept-2-en-2-amine
CID 134535297
1-methoxyhept-1-en-1-ol
CID 123724629
4-methylnona-2,4-diene
CID 123785331
(2E,4Z)-4-methylnona-2,4-diene
CID 139728618
2-hexylidenepropanedioic acid
CID 21274064

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol?
The IUPAC name of (2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol (CID 170406622) is (2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol.
What is the SMILES notation for (2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol?
The canonical SMILES for (2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol is CCCC/C=C(O)\C=C/CNC.
What is the InChIKey of (2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol?
The InChIKey is XUAZQOWIDBKHSN-GOOBONSCSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-7-10(12)8-6-9-11-2/h6-8,11-12H,3-5,9H2,1-2H3/b8-6-,10-7+.
What are the key properties of (2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol?
(2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol has a molecular weight of 169.27 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol is sourced from PubChem (CID 170406622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).