3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide

C9H19N3O — CID 167779579

IUPAC3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide
SMILESCC(N)CN(C)C1CC(C(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-6(10)5-12(2)8-3-7(4-8)9(11)13/h6-8H,3-5,10H2,1-2H3,(H2,11,13)
InChIKeyUDRYLWUVKAQIMN-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.47
Rot. Bonds4

About 3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide

3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide (PubChem CID 167779579) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide
PubChem CID167779579
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide
SMILESCC(N)CN(C)C1CC(C(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-6(10)5-12(2)8-3-7(4-8)9(11)13/h6-8H,3-5,10H2,1-2H3,(H2,11,13)
InChIKeyUDRYLWUVKAQIMN-UHFFFAOYSA-N
XLogP-0.47
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine
CID 104873486
1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine
CID 130709624
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286
3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid
CID 79121669
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]propanehydrazide
CID 63572438
2-methyl-3-[methyl(oxolan-3-yl)amino]propanehydrazide
CID 82754042
2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
CID 64581715
1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine
CID 80561693
1-(2-aminopropyl)-1-[2-(dimethylamino)ethyl]urea
CID 82404869
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide?
The IUPAC name of 3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide (CID 167779579) is 3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide is CC(N)CN(C)C1CC(C(N)=O)C1.
What is the InChIKey of 3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide?
The InChIKey is UDRYLWUVKAQIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(10)5-12(2)8-3-7(4-8)9(11)13/h6-8H,3-5,10H2,1-2H3,(H2,11,13).
What are the key properties of 3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide?
3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide is sourced from PubChem (CID 167779579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).