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

C9H15NO — CID 150829925

IUPAC1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine
SMILESCNCC1=C(COC)CC=C1
InChIInChI=1S/C9H15NO/c1-10-6-8-4-3-5-9(8)7-11-2/h3-4,10H,5-7H2,1-2H3
InChIKeyKLSYJDLSPQZNBC-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.11
Rot. Bonds4

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

1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine (PubChem CID 150829925) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine
PubChem CID150829925
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine
SMILESCNCC1=C(COC)CC=C1
InChIInChI=1S/C9H15NO/c1-10-6-8-4-3-5-9(8)7-11-2/h3-4,10H,5-7H2,1-2H3
InChIKeyKLSYJDLSPQZNBC-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z,2E)-5-methoxy-2-(2-methoxypropylidene)-N-methylhex-3-en-1-amine
CID 88274869
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(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
(Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine
CID 121274860
(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
1-methoxy-N,2,5-trimethylcyclopenta-2,4-dien-1-amine
CID 140101913
(2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142207266
(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 1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine (CID 150829925) is 1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine is CNCC1=C(COC)CC=C1.
What is the InChIKey of 1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine?
The InChIKey is KLSYJDLSPQZNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-6-8-4-3-5-9(8)7-11-2/h3-4,10H,5-7H2,1-2H3.
What are the key properties of 1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine?
1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine is sourced from PubChem (CID 150829925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).