1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide

C12H24N2O — CID 80588524

IUPAC1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide
SMILESCCC(C)N(C)C(=O)C1(CN)CC(C)C1
InChIInChI=1S/C12H24N2O/c1-5-10(3)14(4)11(15)12(8-13)6-9(2)7-12/h9-10H,5-8,13H2,1-4H3
InChIKeyBWOYDKWFCJODLL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds4

About 1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide

1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide (PubChem CID 80588524) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide
PubChem CID80588524
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide
SMILESCCC(C)N(C)C(=O)C1(CN)CC(C)C1
InChIInChI=1S/C12H24N2O/c1-5-10(3)14(4)11(15)12(8-13)6-9(2)7-12/h9-10H,5-8,13H2,1-4H3
InChIKeyBWOYDKWFCJODLL-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 80587568
1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
CID 80587838
1-(aminomethyl)-N-cycloheptyl-N,3-dimethylcyclobutane-1-carboxamide
CID 80587321
1-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 114948730
1-(aminomethyl)-N-(1-cyclopropylethyl)-N,4-dimethylcyclohexane-1-carboxamide
CID 115441526
1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide
CID 80598078
1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80598397
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465283
1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095052
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide
CID 113426194
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 113467723
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80588345

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide (CID 80588524) is 1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide is CCC(C)N(C)C(=O)C1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is BWOYDKWFCJODLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-10(3)14(4)11(15)12(8-13)6-9(2)7-12/h9-10H,5-8,13H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 80588524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).