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

C10H17NO — CID 151391108

IUPACN-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine
SMILESCCNCC1=C(COC)CC=C1
InChIInChI=1S/C10H17NO/c1-3-11-7-9-5-4-6-10(9)8-12-2/h4-5,11H,3,6-8H2,1-2H3
InChIKeyOULSSKVYKQRYSZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds5

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

N-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine (PubChem CID 151391108) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine
PubChem CID151391108
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine
SMILESCCNCC1=C(COC)CC=C1
InChIInChI=1S/C10H17NO/c1-3-11-7-9-5-4-6-10(9)8-12-2/h4-5,11H,3,6-8H2,1-2H3
InChIKeyOULSSKVYKQRYSZ-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z,2E)-5-methoxy-2-(2-methoxypropylidene)-N-methylhex-3-en-1-amine
CID 88274869
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine
CID 90710826
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
(Z)-N-(3-methoxypropyl)-2-methylidenehex-3-en-1-amine
CID 132175166
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
[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(propan-2-ylamino)ethyl] cyanate
CID 134502654
(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine
CID 135225387
(3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine
CID 138614842

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine (CID 151391108) is N-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine is CCNCC1=C(COC)CC=C1.
What is the InChIKey of N-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine?
The InChIKey is OULSSKVYKQRYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-11-7-9-5-4-6-10(9)8-12-2/h4-5,11H,3,6-8H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine?
N-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine is sourced from PubChem (CID 151391108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).