N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine

C9H19NO2 — CID 121208176

IUPACN-[(3,3-dimethoxycyclobutyl)methyl]ethanamine
SMILESCCNCC1CC(OC)(OC)C1
InChIInChI=1S/C9H19NO2/c1-4-10-7-8-5-9(6-8,11-2)12-3/h8,10H,4-7H2,1-3H3
InChIKeyLTVDCCFWZOMBSP-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.00
Rot. Bonds5

About N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine

N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine (PubChem CID 121208176) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,3-dimethoxycyclobutyl)methyl]ethanamine
PubChem CID121208176
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[(3,3-dimethoxycyclobutyl)methyl]ethanamine
SMILESCCNCC1CC(OC)(OC)C1
InChIInChI=1S/C9H19NO2/c1-4-10-7-8-5-9(6-8,11-2)12-3/h8,10H,4-7H2,1-3H3
InChIKeyLTVDCCFWZOMBSP-UHFFFAOYSA-N
XLogP1.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine
CID 59861687
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006
N-[(3,3-dimethylcyclopentyl)methyl]ethanamine
CID 80705004
ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate
CID 138015528
N-[(4-fluorocyclohexyl)methyl]ethanamine
CID 143499030
3,3-dimethoxycyclobutan-1-ol
CID 130945109
2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde
CID 87141647
N-[(4-butylcyclohexyl)methyl]ethanamine
CID 43163710
ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate
CID 118951743
N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine
CID 165458731
N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine
CID 71635401
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine?
The IUPAC name of N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine (CID 121208176) is N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine?
The canonical SMILES for N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine is CCNCC1CC(OC)(OC)C1.
What is the InChIKey of N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine?
The InChIKey is LTVDCCFWZOMBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-10-7-8-5-9(6-8,11-2)12-3/h8,10H,4-7H2,1-3H3.
What are the key properties of N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine?
N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine has a molecular weight of 173.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine is sourced from PubChem (CID 121208176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).