1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine

C13H21N3O — CID 106938573

IUPAC1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(OCc2cncn2C2CC2)C1
InChIInChI=1S/C13H21N3O/c1-14-6-10-4-13(5-10)17-8-12-7-15-9-16(12)11-2-3-11/h7,9-11,13-14H,2-6,8H2,1H3
InChIKeySMILDKVKYIJWAB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.73
Rot. Bonds6

About 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine

1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine (PubChem CID 106938573) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine
PubChem CID106938573
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(OCc2cncn2C2CC2)C1
InChIInChI=1S/C13H21N3O/c1-14-6-10-4-13(5-10)17-8-12-7-15-9-16(12)11-2-3-11/h7,9-11,13-14H,2-6,8H2,1H3
InChIKeySMILDKVKYIJWAB-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Propan-2-yl-4-(propan-2-yloxymethyl)imidazole
CID 117192045
1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine
CID 117192828
1-Ethyl-5-(propan-2-yloxymethyl)imidazole
CID 117193125
1-Propan-2-yl-5-(propan-2-yloxymethyl)imidazole
CID 117193153
1-Cyclopentyl-5-(propan-2-yloxymethyl)imidazole
CID 118217272
1-(2-Methylpropyl)-5-(propan-2-yloxymethyl)imidazole
CID 118217278
(3S)-3-[(1-methylimidazol-4-yl)methoxymethyl]piperidine;hydrochloride
CID 140121329
(3S)-3-[(3-methylimidazol-4-yl)methoxymethyl]piperidine;dihydrochloride
CID 140121403
(3S)-3-[(3-ethylimidazol-4-yl)methoxymethyl]piperidine;hydrochloride
CID 140121491
1-ethyl-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 142999002
4-(1H-imidazol-5-ylmethoxy)-1-methylpiperidine
CID 142999006
1-Cyclopentyl-5-(ethoxymethyl)imidazole
CID 145674874

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine (CID 106938573) is 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine is CNCC1CC(OCc2cncn2C2CC2)C1.
What is the InChIKey of 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine?
The InChIKey is SMILDKVKYIJWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-6-10-4-13(5-10)17-8-12-7-15-9-16(12)11-2-3-11/h7,9-11,13-14H,2-6,8H2,1H3.
What are the key properties of 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine?
1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 106938573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).