ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine

C16H31NO — CID 143432972

IUPACethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C/C=C\C(=C)C(C)CCN(C)CCOC.CC
InChIInChI=1S/C14H25NO.C2H6/c1-6-7-8-13(2)14(3)9-10-15(4)11-12-16-5;1-2/h6-8,14H,1-2,9-12H2,3-5H3;1-2H3/b8-7-;
InChIKeyGCEWMQILDIDNHS-CFYXSCKTSA-N
MW253.43 g/mol
LogP3.92
Rot. Bonds9

About ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine

ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine (PubChem CID 143432972) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine.

Molecular Properties

Compound Nameethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
PubChem CID143432972
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Nameethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C/C=C\C(=C)C(C)CCN(C)CCOC.CC
InChIInChI=1S/C14H25NO.C2H6/c1-6-7-8-13(2)14(3)9-10-15(4)11-12-16-5;1-2/h6-8,14H,1-2,9-12H2,3-5H3;1-2H3/b8-7-;
InChIKeyGCEWMQILDIDNHS-CFYXSCKTSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine
CID 156730810
4-(2-Fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine
CID 173172155
1-(2-methoxyethyl)-5-propan-2-yl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridine
CID 68342204
N-[(2S)-2-cyclohexa-2,4-dien-1-yl-2-ethenoxyethyl]-N-propan-2-ylpropan-1-amine
CID 89240463
2-[2-(4-Ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-ethylamino]ethanol
CID 89351784
4-[(2,5-Dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]morpholine
CID 91600812
N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine
CID 123365734
2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine
CID 123912502
4-[(6-Methylcyclohexa-1,3-dien-1-yl)methyl]morpholine
CID 130183387
2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine
CID 134188025
4-[2-(6-Methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine
CID 141064497
methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine
CID 142187254

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
The IUPAC name of ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine (CID 143432972) is ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine.
What is the SMILES notation for ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
The canonical SMILES for ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine is C=C/C=C\C(=C)C(C)CCN(C)CCOC.CC.
What is the InChIKey of ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
The InChIKey is GCEWMQILDIDNHS-CFYXSCKTSA-N. The full InChI is InChI=1S/C14H25NO.C2H6/c1-6-7-8-13(2)14(3)9-10-15(4)11-12-16-5;1-2/h6-8,14H,1-2,9-12H2,3-5H3;1-2H3/b8-7-;.
What are the key properties of ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine?
ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine is sourced from PubChem (CID 143432972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).