N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine

C17H31NO — CID 123365734

IUPACN-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine
SMILESCCCC(C)=CC=CC1(CN(CC)CCOC)CC1
InChIInChI=1S/C17H31NO/c1-5-8-16(3)9-7-10-17(11-12-17)15-18(6-2)13-14-19-4/h7,9-10H,5-6,8,11-15H2,1-4H3
InChIKeyVDAUDLPPOBSIPU-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds10

About N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine

N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine (PubChem CID 123365734) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine
PubChem CID123365734
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine
SMILESCCCC(C)=CC=CC1(CN(CC)CCOC)CC1
InChIInChI=1S/C17H31NO/c1-5-8-16(3)9-7-10-17(11-12-17)15-18(6-2)13-14-19-4/h7,9-10H,5-6,8,11-15H2,1-4H3
InChIKeyVDAUDLPPOBSIPU-UHFFFAOYSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine
CID 123666535
N-[(4-ethenylcyclohepta-1,3,5-trien-1-yl)methyl]-N-[(4-ethenyl-1-methylcyclohepta-2,4,6-trien-1-yl)methyl]-2-methoxyethanamine
CID 130196547
ethane;(5Z)-N-(2-methoxyethyl)-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 143432972
3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 143615599
(3Z,5Z)-N,5-diethyl-N-(2-methoxyethyl)-2-methylidenehepta-3,5-dien-1-amine
CID 144403518
(4Z)-N-iodo-N-(2-methoxyethyl)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hex-5-en-1-amine
CID 144651711
N-ethyl-2-methoxy-N-[(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine
CID 144717930
(4E)-4-ethenyl-N,3-diethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine
CID 145280023
(4Z)-4-ethenyl-N-ethyl-N-(2-methoxyethyl)hepta-4,6-dien-1-amine
CID 145280064
(3Z,5Z)-5-ethenyl-N-[(4-ethenylcyclohepta-1,3,5-trien-1-yl)methyl]-N-(2-methoxyethyl)octa-3,5,7-trien-1-amine
CID 145346171
N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine
CID 164916057
4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine
CID 166813199

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine (CID 123365734) is N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine is CCCC(C)=CC=CC1(CN(CC)CCOC)CC1.
What is the InChIKey of N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine?
The InChIKey is VDAUDLPPOBSIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-8-16(3)9-7-10-17(11-12-17)15-18(6-2)13-14-19-4/h7,9-10H,5-6,8,11-15H2,1-4H3.
What are the key properties of N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine?
N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine has a molecular weight of 265.44 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 123365734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).