2-(3-methoxycyclobutylidene)ethanamine

C7H13NO — CID 106824175

IUPAC2-(3-methoxycyclobutylidene)ethanamine
SMILESCOC1CC(=CCN)C1
InChIInChI=1S/C7H13NO/c1-9-7-4-6(5-7)2-3-8/h2,7H,3-5,8H2,1H3/b6-2-
InChIKeyVEMUFTDGSWALKN-KXFIGUGUSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds2

About 2-(3-methoxycyclobutylidene)ethanamine

2-(3-methoxycyclobutylidene)ethanamine (PubChem CID 106824175) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(3-methoxycyclobutylidene)ethanamine.

Molecular Properties

Compound Name2-(3-methoxycyclobutylidene)ethanamine
PubChem CID106824175
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(3-methoxycyclobutylidene)ethanamine
SMILESCOC1CC(=CCN)C1
InChIInChI=1S/C7H13NO/c1-9-7-4-6(5-7)2-3-8/h2,7H,3-5,8H2,1H3/b6-2-
InChIKeyVEMUFTDGSWALKN-KXFIGUGUSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.68
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

2-(4-ethylcyclohexylidene)ethanamine
CID 63970724
2-(3-methoxycyclobutyl)ethanamine
CID 106824044
3-(2-methoxyethylidene)cyclobutane-1-carbonitrile
CID 23271398
(3,5-dimethoxycyclohexyl)methanamine
CID 123884100
(4-methoxycyclohexyl)methanamine;hydrochloride
CID 66699723
1,3,5-trimethoxycyclohexane
CID 547415
ethyl 2-(3,5-dimethoxycyclohexylidene)acetate;(5S)-3-methoxy-5-methylcyclohexan-1-one
CID 90792530
(4-methoxypiperidin-1-yl)methanamine
CID 129270206
(2Z)-2-(5-methoxy-2,2,3-trimethylcyclohexylidene)ethanol
CID 59083995
2-(2-chloroethylidene)-4-methoxy-1,1,6-trimethylcyclohexane
CID 72511475
trans-(3R,5R)-3,5-dimethoxycyclohexan-1-one
CID 22213714
(5-methoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824122

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycyclobutylidene)ethanamine?
The IUPAC name of 2-(3-methoxycyclobutylidene)ethanamine (CID 106824175) is 2-(3-methoxycyclobutylidene)ethanamine.
What is the SMILES notation for 2-(3-methoxycyclobutylidene)ethanamine?
The canonical SMILES for 2-(3-methoxycyclobutylidene)ethanamine is COC1CC(=CCN)C1.
What is the InChIKey of 2-(3-methoxycyclobutylidene)ethanamine?
The InChIKey is VEMUFTDGSWALKN-KXFIGUGUSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-7-4-6(5-7)2-3-8/h2,7H,3-5,8H2,1H3/b6-2-.
What are the key properties of 2-(3-methoxycyclobutylidene)ethanamine?
2-(3-methoxycyclobutylidene)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycyclobutylidene)ethanamine is sourced from PubChem (CID 106824175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).