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

C23H43NO — CID 143159488

IUPACethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene
SMILESC=CC.C=CCCCCC(=C)NC/C(C)=C\CCC(C=C)OC.CC
InChIInChI=1S/C18H31NO.C3H6.C2H6/c1-6-8-9-10-13-17(4)19-15-16(3)12-11-14-18(7-2)20-5;1-3-2;1-2/h6-7,12,18-19H,1-2,4,8-11,13-15H2,3,5H3;3H,1H2,2H3;1-2H3/b16-12-;;
InChIKeyZUPWLSOPYDZXBR-DAANKRAASA-N
MW349.60 g/mol
LogP6.98
Rot. Bonds13

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

ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene (PubChem CID 143159488) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene.

Molecular Properties

Compound Nameethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene
PubChem CID143159488
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Nameethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene
SMILESC=CC.C=CCCCCC(=C)NC/C(C)=C\CCC(C=C)OC.CC
InChIInChI=1S/C18H31NO.C3H6.C2H6/c1-6-8-9-10-13-17(4)19-15-16(3)12-11-14-18(7-2)20-5;1-3-2;1-2/h6-7,12,18-19H,1-2,4,8-11,13-15H2,3,5H3;3H,1H2,2H3;1-2H3/b16-12-;;
InChIKeyZUPWLSOPYDZXBR-DAANKRAASA-N
XLogP6.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 56.98
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'}

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Related Compounds

(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525
(Z,1Z)-N-methyl-1-piperidin-3-ylidenehex-2-en-3-amine;1-prop-2-enoxybutane
CID 153562274
(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine
CID 143159489

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene?
The IUPAC name of ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene (CID 143159488) is ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene.
What is the SMILES notation for ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene?
The canonical SMILES for ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene is C=CC.C=CCCCCC(=C)NC/C(C)=C\CCC(C=C)OC.CC.
What is the InChIKey of ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene?
The InChIKey is ZUPWLSOPYDZXBR-DAANKRAASA-N. The full InChI is InChI=1S/C18H31NO.C3H6.C2H6/c1-6-8-9-10-13-17(4)19-15-16(3)12-11-14-18(7-2)20-5;1-3-2;1-2/h6-7,12,18-19H,1-2,4,8-11,13-15H2,3,5H3;3H,1H2,2H3;1-2H3/b16-12-;;.
What are the key properties of ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene?
ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene has a molecular weight of 349.60 g/mol, XLogP of 6.98, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene is sourced from PubChem (CID 143159488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).