N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine

C11H19NO — CID 150497585

IUPACN-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine
SMILESCCNCC1=C(COCC)CC=C1
InChIInChI=1S/C11H19NO/c1-3-12-8-10-6-5-7-11(10)9-13-4-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyHXCXSGYCTAMORA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds6

About N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine

N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine (PubChem CID 150497585) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine
PubChem CID150497585
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine
SMILESCCNCC1=C(COCC)CC=C1
InChIInChI=1S/C11H19NO/c1-3-12-8-10-6-5-7-11(10)9-13-4-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyHXCXSGYCTAMORA-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine with MolForge

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Related Compounds

(2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine
CID 166944290
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
(Z,2E)-5-[(1R)-cyclohexa-2,4-dien-1-yl]oxy-2-ethylidene-N-methylpent-3-en-1-amine
CID 89519127
N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 123449523
(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
CID 130330265
(Z,2E)-2-(2-methoxyethylidene)-N-methylhex-3-en-1-amine
CID 132044562
2-methoxy-5-methyl-2,7-dihydro-1H-azepine
CID 132199043
N-[2-[4-(methoxymethyl)cyclohepta-1,3,6-trien-1-yl]ethyl]propan-1-amine
CID 132240269
(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine
CID 135225387
N-ethyl-1-methoxy-2,5-dimethylcyclopenta-2,4-dien-1-amine
CID 140101905
ethane;(Z,2E)-N-(3-ethoxypropyl)-2-ethylidenepent-3-en-1-amine
CID 141975366
(E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine
CID 142987860

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine (CID 150497585) is N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine is CCNCC1=C(COCC)CC=C1.
What is the InChIKey of N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine?
The InChIKey is HXCXSGYCTAMORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-12-8-10-6-5-7-11(10)9-13-4-2/h5-6,12H,3-4,7-9H2,1-2H3.
What are the key properties of N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine?
N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine is sourced from PubChem (CID 150497585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).