(4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine

C16H29NO — CID 144515512

IUPAC(4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine
SMILESCOC1/C=C/CCCCC(N)CC/C(C)=C\CC1
InChIInChI=1S/C16H29NO/c1-14-8-7-11-16(18-2)10-6-4-3-5-9-15(17)13-12-14/h6,8,10,15-16H,3-5,7,9,11-13,17H2,1-2H3/b10-6+,14-8-
InChIKeyIIVBWRCZQLYPML-UUIXNEETSA-N
MW251.41 g/mol
LogP3.97
Rot. Bonds1

About (4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine

(4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine (PubChem CID 144515512) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine.

Molecular Properties

Compound Name(4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine
PubChem CID144515512
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine
SMILESCOC1/C=C/CCCCC(N)CC/C(C)=C\CC1
InChIInChI=1S/C16H29NO/c1-14-8-7-11-16(18-2)10-6-4-3-5-9-15(17)13-12-14/h6,8,10,15-16H,3-5,7,9,11-13,17H2,1-2H3/b10-6+,14-8-
InChIKeyIIVBWRCZQLYPML-UUIXNEETSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3Z,7R,12E,14S)-7-amino-14-methoxy-2,4-dimethylcyclotetradeca-3,12-dien-1-ol;hydrochloride
CID 71488225
(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
CID 144515567
(7E,12Z)-9-methoxy-13-methyl-1-oxa-3-azacyclotetradeca-7,12-dien-2-one
CID 144515513
(1Z,5E)-9-methoxy-2,5,10-trimethylcyclododeca-1,5-diene
CID 175990247
5-methoxy-2-methylcyclohepta-1,3-diene
CID 70331714
(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene
CID 23092808
(3E)-cyclooct-3-en-1-amine
CID 139404847
cyclohept-2-en-1-yl ethyl carbonate
CID 15310932
[(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol
CID 166967627
(1S,2R,3Z,12E)-14-methoxy-2,4-dimethylcyclotetradeca-3,12-diene-1,7-diol
CID 67992687
(1S,2R,14S)-14-methoxy-2,4-dimethylcyclotetradeca-3,12-diene-1,7-diol
CID 90960130
[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
CID 10856794

Frequently Asked Questions

What is the IUPAC name of (4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine?
The IUPAC name of (4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine (CID 144515512) is (4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine.
What is the SMILES notation for (4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine?
The canonical SMILES for (4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine is COC1/C=C/CCCCC(N)CC/C(C)=C\CC1.
What is the InChIKey of (4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine?
The InChIKey is IIVBWRCZQLYPML-UUIXNEETSA-N. The full InChI is InChI=1S/C16H29NO/c1-14-8-7-11-16(18-2)10-6-4-3-5-9-15(17)13-12-14/h6,8,10,15-16H,3-5,7,9,11-13,17H2,1-2H3/b10-6+,14-8-.
What are the key properties of (4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine?
(4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,9E)-8-methoxy-4-methylcyclotetradeca-4,9-dien-1-amine is sourced from PubChem (CID 144515512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).