[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C14H27N3O — CID 81465283

IUPAC[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CC(CN)(C(=O)N2CC(C)C(N(C)C)C2)C1
InChIInChI=1S/C14H27N3O/c1-10-5-14(6-10,9-15)13(18)17-7-11(2)12(8-17)16(3)4/h10-12H,5-9,15H2,1-4H3
InChIKeyLLJCWOXSSOKSRC-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.77
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 81465283) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID81465283
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CC(CN)(C(=O)N2CC(C)C(N(C)C)C2)C1
InChIInChI=1S/C14H27N3O/c1-10-5-14(6-10,9-15)13(18)17-7-11(2)12(8-17)16(3)4/h10-12H,5-9,15H2,1-4H3
InChIKeyLLJCWOXSSOKSRC-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81463790
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 80587778
(1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465581
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone
CID 81465453
[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 80587278
[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355744
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 81463819
5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one
CID 104685422
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 80588732
1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 81464602
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 81474906
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 80598306

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 81465283) is [1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is CC1CC(CN)(C(=O)N2CC(C)C(N(C)C)C2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is LLJCWOXSSOKSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10-5-14(6-10,9-15)13(18)17-7-11(2)12(8-17)16(3)4/h10-12H,5-9,15H2,1-4H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 81465283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).