N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine

C15H25NO — CID 142097266

IUPACN-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
SMILESCCCN(CC)CCOC1=CC=C(C)CC=C1
InChIInChI=1S/C15H25NO/c1-4-11-16(5-2)12-13-17-15-8-6-7-14(3)9-10-15/h6,8-10H,4-5,7,11-13H2,1-3H3
InChIKeyFRMCZRSQXJKZFZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.53
Rot. Bonds7

About N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine

N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine (PubChem CID 142097266) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
PubChem CID142097266
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
SMILESCCCN(CC)CCOC1=CC=C(C)CC=C1
InChIInChI=1S/C15H25NO/c1-4-11-16(5-2)12-13-17-15-8-6-7-14(3)9-10-15/h6,8-10H,4-5,7,11-13H2,1-3H3
InChIKeyFRMCZRSQXJKZFZ-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine
CID 142114831
N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine
CID 143263466
N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine
CID 144808749
1-[2-(5-Fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxyethyl]pyrrolidine
CID 143167676
2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 169112623
N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-N-propan-2-ylpropan-2-amine
CID 17898820
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)pyrrolidine
CID 17915424
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 68902382
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine
CID 68902982
(2R)-N,N-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine
CID 89134065

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine (CID 142097266) is N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine is CCCN(CC)CCOC1=CC=C(C)CC=C1.
What is the InChIKey of N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine?
The InChIKey is FRMCZRSQXJKZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-11-16(5-2)12-13-17-15-8-6-7-14(3)9-10-15/h6,8-10H,4-5,7,11-13H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine?
N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine is sourced from PubChem (CID 142097266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).