2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide

C12H23N3O — CID 79854308

IUPAC2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
SMILESCN(CCNC(=O)CC1(N)CCC1)C1CC1
InChIInChI=1S/C12H23N3O/c1-15(10-3-4-10)8-7-14-11(16)9-12(13)5-2-6-12/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyKIYYYOOYQIUSDK-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.47
Rot. Bonds6

About 2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide

2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide (PubChem CID 79854308) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
PubChem CID79854308
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
SMILESCN(CCNC(=O)CC1(N)CCC1)C1CC1
InChIInChI=1S/C12H23N3O/c1-15(10-3-4-10)8-7-14-11(16)9-12(13)5-2-6-12/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyKIYYYOOYQIUSDK-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 62975025
1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62975203
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
2-(1-aminocyclobutyl)-N-(2-aminoethyl)acetamide
CID 79853853
2-(1-aminocyclobutyl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83112019
1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide
CID 80589183
3-[[2-(1-aminocyclopentyl)acetyl]amino]-N,N-dimethylpropanamide
CID 64684460
1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119878774
2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 79854548
2-(cyclopropylmethylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119863864
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80596682
3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide
CID 79853865

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide (CID 79854308) is 2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide is CN(CCNC(=O)CC1(N)CCC1)C1CC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide?
The InChIKey is KIYYYOOYQIUSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-15(10-3-4-10)8-7-14-11(16)9-12(13)5-2-6-12/h10H,2-9,13H2,1H3,(H,14,16).
What are the key properties of 2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide?
2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide has a molecular weight of 225.34 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide is sourced from PubChem (CID 79854308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).