N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide

C8H17N3O — CID 115448386

IUPACN-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide
SMILESNCCNC(=O)C1(CN)CCC1
InChIInChI=1S/C8H17N3O/c9-4-5-11-7(12)8(6-10)2-1-3-8/h1-6,9-10H2,(H,11,12)
InChIKeyAJDXAYIDZIQSEH-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.81
Rot. Bonds4

About N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide

N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide (PubChem CID 115448386) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide
PubChem CID115448386
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide
SMILESNCCNC(=O)C1(CN)CCC1
InChIInChI=1S/C8H17N3O/c9-4-5-11-7(12)8(6-10)2-1-3-8/h1-6,9-10H2,(H,11,12)
InChIKeyAJDXAYIDZIQSEH-UHFFFAOYSA-N
XLogP-0.81
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide (CID 115448386) is N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide is NCCNC(=O)C1(CN)CCC1.
What is the InChIKey of N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide?
The InChIKey is AJDXAYIDZIQSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-4-5-11-7(12)8(6-10)2-1-3-8/h1-6,9-10H2,(H,11,12).
What are the key properties of N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide?
N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115448386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).