1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide

C13H26N2O — CID 80587791

IUPAC1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide
SMILESCCC(CC)CN(CC)C(=O)C1(CN)CC1
InChIInChI=1S/C13H26N2O/c1-4-11(5-2)9-15(6-3)12(16)13(10-14)7-8-13/h11H,4-10,14H2,1-3H3
InChIKeyFQVHYODLIVNMEM-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds7

About 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide (PubChem CID 80587791) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide
PubChem CID80587791
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide
SMILESCCC(CC)CN(CC)C(=O)C1(CN)CC1
InChIInChI=1S/C13H26N2O/c1-4-11(5-2)9-15(6-3)12(16)13(10-14)7-8-13/h11H,4-10,14H2,1-3H3
InChIKeyFQVHYODLIVNMEM-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide (CID 80587791) is 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide is CCC(CC)CN(CC)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide?
The InChIKey is FQVHYODLIVNMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11(5-2)9-15(6-3)12(16)13(10-14)7-8-13/h11H,4-10,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80587791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).