2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide

C10H21N3O — CID 81171928

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
SMILESNCCCNC(=O)CC1(CN)CCC1
InChIInChI=1S/C10H21N3O/c11-5-2-6-13-9(14)7-10(8-12)3-1-4-10/h1-8,11-12H2,(H,13,14)
InChIKeyNPAKUDORHTVWPP-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.03
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide (PubChem CID 81171928) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
PubChem CID81171928
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
SMILESNCCCNC(=O)CC1(CN)CCC1
InChIInChI=1S/C10H21N3O/c11-5-2-6-13-9(14)7-10(8-12)3-1-4-10/h1-8,11-12H2,(H,13,14)
InChIKeyNPAKUDORHTVWPP-UHFFFAOYSA-N
XLogP-0.03
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025
ethyl 4-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]butanoate
CID 81168194
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090
2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide
CID 114137021
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
CID 81168821
2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide
CID 104678084
2-[1-(aminomethyl)cyclobutyl]-N-[2-(azepan-1-yl)ethyl]acetamide
CID 81171786
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350
2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 81172973
ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide (CID 81171928) is 2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide is NCCCNC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide?
The InChIKey is NPAKUDORHTVWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-5-2-6-13-9(14)7-10(8-12)3-1-4-10/h1-8,11-12H2,(H,13,14).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide has a molecular weight of 199.30 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide is sourced from PubChem (CID 81171928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).