(3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine

C10H17NO — CID 143112726

IUPAC(3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine
SMILESC=C/C=C(\C=C/CCNC)OC
InChIInChI=1S/C10H17NO/c1-4-7-10(12-3)8-5-6-9-11-2/h4-5,7-8,11H,1,6,9H2,2-3H3/b8-5-,10-7+
InChIKeyXPYSRSWXWRWKRW-OEPUHGBTSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds6

About (3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine

(3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine (PubChem CID 143112726) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine
PubChem CID143112726
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine
SMILESC=C/C=C(\C=C/CCNC)OC
InChIInChI=1S/C10H17NO/c1-4-7-10(12-3)8-5-6-9-11-2/h4-5,7-8,11H,1,6,9H2,2-3H3/b8-5-,10-7+
InChIKeyXPYSRSWXWRWKRW-OEPUHGBTSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
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'}

Analyze (3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine with MolForge

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Related Compounds

1-(3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 68046425
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
1-(3-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 88997268
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
CID 89209291
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine
CID 90710826
6-Methoxynona-4,6-dien-2-amine
CID 90755052
4-methoxy-N-methylcyclohexa-2,4-dien-1-amine
CID 90855668
7,8-Dimethoxyocta-3,5,7-trien-1-amine
CID 123166948
6-methoxy-N-methylocta-4,6-dien-1-amine
CID 123371000

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine?
The IUPAC name of (3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine (CID 143112726) is (3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine.
What is the SMILES notation for (3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine?
The canonical SMILES for (3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine is C=C/C=C(\C=C/CCNC)OC.
What is the InChIKey of (3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine?
The InChIKey is XPYSRSWXWRWKRW-OEPUHGBTSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-7-10(12-3)8-5-6-9-11-2/h4-5,7-8,11H,1,6,9H2,2-3H3/b8-5-,10-7+.
What are the key properties of (3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine?
(3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-methoxy-N-methylocta-3,5,7-trien-1-amine is sourced from PubChem (CID 143112726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).