1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

C13H23NO — CID 103556342

IUPAC1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)C1=CCCC1
InChIInChI=1S/C13H23NO/c1-14-12(11-6-3-4-7-11)10-13(15-2)8-5-9-13/h6,12,14H,3-5,7-10H2,1-2H3
InChIKeyBFOAWNOOXKQNRU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds5

About 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 103556342) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID103556342
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)C1=CCCC1
InChIInChI=1S/C13H23NO/c1-14-12(11-6-3-4-7-11)10-13(15-2)8-5-9-13/h6,12,14H,3-5,7-10H2,1-2H3
InChIKeyBFOAWNOOXKQNRU-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079085
1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079407
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62080510
1-(cyclopenten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79758098
1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79758456
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760372
2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine
CID 103028503
2-methoxy-N,2,7-trimethyloct-7-en-4-amine
CID 103029362
1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103036048
1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103036049
3-(3-Methoxy-3-methylbutyl)cyclopent-2-en-1-amine
CID 103037571
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163065

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (CID 103556342) is 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is CNC(CC1(OC)CCC1)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is BFOAWNOOXKQNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14-12(11-6-3-4-7-11)10-13(15-2)8-5-9-13/h6,12,14H,3-5,7-10H2,1-2H3.
What are the key properties of 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103556342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).