1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide

C14H27N3O2 — CID 80587568

IUPAC1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1(CN)CC(C)C1
InChIInChI=1S/C14H27N3O2/c1-5-17(6-2)12(18)9-16(4)13(19)14(10-15)7-11(3)8-14/h11H,5-10,15H2,1-4H3
InChIKeyMAYFFWISHKLIKD-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.69
Rot. Bonds6

About 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide (PubChem CID 80587568) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide
PubChem CID80587568
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1(CN)CC(C)C1
InChIInChI=1S/C14H27N3O2/c1-5-17(6-2)12(18)9-16(4)13(19)14(10-15)7-11(3)8-14/h11H,5-10,15H2,1-4H3
InChIKeyMAYFFWISHKLIKD-UHFFFAOYSA-N
XLogP0.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide (CID 80587568) is 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide is CCN(CC)C(=O)CN(C)C(=O)C1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is MAYFFWISHKLIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-17(6-2)12(18)9-16(4)13(19)14(10-15)7-11(3)8-14/h11H,5-10,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 80587568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).