(Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine

C12H23NO — CID 143110187

IUPAC(Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine
SMILESC/C=C\C(=C/CC)CC(CCN)OC
InChIInChI=1S/C12H23NO/c1-4-6-11(7-5-2)10-12(14-3)8-9-13/h4,6-7,12H,5,8-10,13H2,1-3H3/b6-4-,11-7+
InChIKeyYFDWVEKYWOIWIY-WXVRQDIQSA-N
MW197.32 g/mol
LogP2.65
Rot. Bonds7

About (Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine

(Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine (PubChem CID 143110187) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine
PubChem CID143110187
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine
SMILESC/C=C\C(=C/CC)CC(CCN)OC
InChIInChI=1S/C12H23NO/c1-4-6-11(7-5-2)10-12(14-3)8-9-13/h4,6-7,12H,5,8-10,13H2,1-3H3/b6-4-,11-7+
InChIKeyYFDWVEKYWOIWIY-WXVRQDIQSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclohexa-1,5-dien-1-yl-3-methoxybutan-1-amine
CID 143109891
4-Amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol
CID 143110144
6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine
CID 145375824
(2E,6Z)-2-butyl-6-methoxynona-2,6,8-trien-1-amine
CID 166895226
2,3-Dihydro-methyl-5-benzofuranethanamine hydrochloride
CID 170987706

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine?
The IUPAC name of (Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine (CID 143110187) is (Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine.
What is the SMILES notation for (Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine?
The canonical SMILES for (Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine is C/C=C\C(=C/CC)CC(CCN)OC.
What is the InChIKey of (Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine?
The InChIKey is YFDWVEKYWOIWIY-WXVRQDIQSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-11(7-5-2)10-12(14-3)8-9-13/h4,6-7,12H,5,8-10,13H2,1-3H3/b6-4-,11-7+.
What are the key properties of (Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine?
(Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methoxy-5-[(Z)-prop-1-enyl]oct-5-en-1-amine is sourced from PubChem (CID 143110187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).