(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene

C16H29NO — CID 144515557

IUPAC(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene
SMILESCOC1/C=C/CCCCCN(C)C/C(C)=C\CC1
InChIInChI=1S/C16H29NO/c1-15-10-9-12-16(18-3)11-7-5-4-6-8-13-17(2)14-15/h7,10-11,16H,4-6,8-9,12-14H2,1-3H3/b11-7+,15-10-
InChIKeyZEMKWWOJGUSMAU-OVJOMLMPSA-N
MW251.41 g/mol
LogP3.79
Rot. Bonds1

About (3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene

(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene (PubChem CID 144515557) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene.

Molecular Properties

Compound Name(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene
PubChem CID144515557
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene
SMILESCOC1/C=C/CCCCCN(C)C/C(C)=C\CC1
InChIInChI=1S/C16H29NO/c1-15-10-9-12-16(18-3)11-7-5-4-6-8-13-17(2)14-15/h7,10-11,16H,4-6,8-9,12-14H2,1-3H3/b11-7+,15-10-
InChIKeyZEMKWWOJGUSMAU-OVJOMLMPSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 13214893
(1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine
CID 134900687
4-(1-methoxyethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442221
2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine
CID 57089492
N-[(3-methoxy-2,7-dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-N-methylethanamine
CID 90965697
N-hexyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hexan-1-amine
CID 138518670
N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine
CID 139539958
ethane;(Z,2E)-2-ethylidene-5-methoxy-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]-N-pentylhex-3-en-1-amine
CID 142550009
ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine
CID 142550037
(2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine
CID 142550059
(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515518
(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525

Frequently Asked Questions

What is the IUPAC name of (3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene?
The IUPAC name of (3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene (CID 144515557) is (3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene.
What is the SMILES notation for (3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene?
The canonical SMILES for (3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene is COC1/C=C/CCCCCN(C)C/C(C)=C\CC1.
What is the InChIKey of (3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene?
The InChIKey is ZEMKWWOJGUSMAU-OVJOMLMPSA-N. The full InChI is InChI=1S/C16H29NO/c1-15-10-9-12-16(18-3)11-7-5-4-6-8-13-17(2)14-15/h7,10-11,16H,4-6,8-9,12-14H2,1-3H3/b11-7+,15-10-.
What are the key properties of (3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene?
(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene has a molecular weight of 251.41 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene is sourced from PubChem (CID 144515557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).