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

C17H31NO — CID 144515518

IUPAC(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
SMILESCCN1CCCCC/C=C/C(OC)CC/C=C(/C)C1
InChIInChI=1S/C17H31NO/c1-4-18-14-9-7-5-6-8-12-17(19-3)13-10-11-16(2)15-18/h8,11-12,17H,4-7,9-10,13-15H2,1-3H3/b12-8+,16-11-
InChIKeyIYOVNRVYYRQOOM-VRDXCEGKSA-N
MW265.44 g/mol
LogP4.18
Rot. Bonds2

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

(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene (PubChem CID 144515518) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene.

Molecular Properties

Compound Name(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
PubChem CID144515518
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
SMILESCCN1CCCCC/C=C/C(OC)CC/C=C(/C)C1
InChIInChI=1S/C17H31NO/c1-4-18-14-9-7-5-6-8-12-17(19-3)13-10-11-16(2)15-18/h8,11-12,17H,4-7,9-10,13-15H2,1-3H3/b12-8+,16-11-
InChIKeyIYOVNRVYYRQOOM-VRDXCEGKSA-N
XLogP4.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.18
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

(1R,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine
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)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525
(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 144515527

Frequently Asked Questions

What is the IUPAC name of (3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene?
The IUPAC name of (3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene (CID 144515518) is (3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene.
What is the SMILES notation for (3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene?
The canonical SMILES for (3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene is CCN1CCCCC/C=C/C(OC)CC/C=C(/C)C1.
What is the InChIKey of (3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene?
The InChIKey is IYOVNRVYYRQOOM-VRDXCEGKSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-18-14-9-7-5-6-8-12-17(19-3)13-10-11-16(2)15-18/h8,11-12,17H,4-7,9-10,13-15H2,1-3H3/b12-8+,16-11-.
What are the key properties of (3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene?
(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene has a molecular weight of 265.44 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene is sourced from PubChem (CID 144515518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).