(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine

C18H31NO — CID 143159489

IUPAC(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine
SMILESC=CCCCCC(=C)NC/C(C)=C\CCC(C=C)OC
InChIInChI=1S/C18H31NO/c1-6-8-9-10-13-17(4)19-15-16(3)12-11-14-18(7-2)20-5/h6-7,12,18-19H,1-2,4,8-11,13-15H2,3,5H3/b16-12-
InChIKeyJOGCZMUUMGTOQX-VBKFSLOCSA-N
MW277.45 g/mol
LogP4.76
Rot. Bonds13

About (2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine

(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine (PubChem CID 143159489) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine.

Molecular Properties

Compound Name(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine
PubChem CID143159489
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine
SMILESC=CCCCCC(=C)NC/C(C)=C\CCC(C=C)OC
InChIInChI=1S/C18H31NO/c1-6-8-9-10-13-17(4)19-15-16(3)12-11-14-18(7-2)20-5/h6-7,12,18-19H,1-2,4,8-11,13-15H2,3,5H3/b16-12-
InChIKeyJOGCZMUUMGTOQX-VBKFSLOCSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(2E,4Z)-N-(cyclohexa-1,3-dien-1-ylmethyl)-6-cyclopentyloxyhepta-2,4,6-trien-3-amine
CID 89039026
ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene
CID 143159488
(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine?
The IUPAC name of (2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine (CID 143159489) is (2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine.
What is the SMILES notation for (2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine?
The canonical SMILES for (2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine is C=CCCCCC(=C)NC/C(C)=C\CCC(C=C)OC.
What is the InChIKey of (2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine?
The InChIKey is JOGCZMUUMGTOQX-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-8-9-10-13-17(4)19-15-16(3)12-11-14-18(7-2)20-5/h6-7,12,18-19H,1-2,4,8-11,13-15H2,3,5H3/b16-12-.
What are the key properties of (2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine?
(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.76, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine is sourced from PubChem (CID 143159489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).