1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide

C13H27N3O — CID 80588679

IUPAC1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCC(C)(C)N(C)C)C1
InChIInChI=1S/C13H27N3O/c1-10-6-13(7-10,8-14)11(17)15-9-12(2,3)16(4)5/h10H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyOKRJODGVGZOUDL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds5

About 1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 80588679) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
PubChem CID80588679
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCC(C)(C)N(C)C)C1
InChIInChI=1S/C13H27N3O/c1-10-6-13(7-10,8-14)11(17)15-9-12(2,3)16(4)5/h10H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyOKRJODGVGZOUDL-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide (CID 80588679) is 1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NCC(C)(C)N(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is OKRJODGVGZOUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10-6-13(7-10,8-14)11(17)15-9-12(2,3)16(4)5/h10H,6-9,14H2,1-5H3,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80588679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).