2-(4-amino-1-cyclopropylazepan-4-yl)acetamide

C11H21N3O — CID 83848884

IUPAC2-(4-amino-1-cyclopropylazepan-4-yl)acetamide
SMILESNC(=O)CC1(N)CCCN(C2CC2)CC1
InChIInChI=1S/C11H21N3O/c12-10(15)8-11(13)4-1-6-14(7-5-11)9-2-3-9/h9H,1-8,13H2,(H2,12,15)
InChIKeyXRTIKEWEKZDUIA-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.21
Rot. Bonds3

About 2-(4-amino-1-cyclopropylazepan-4-yl)acetamide

2-(4-amino-1-cyclopropylazepan-4-yl)acetamide (PubChem CID 83848884) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(4-amino-1-cyclopropylazepan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-1-cyclopropylazepan-4-yl)acetamide
PubChem CID83848884
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(4-amino-1-cyclopropylazepan-4-yl)acetamide
SMILESNC(=O)CC1(N)CCCN(C2CC2)CC1
InChIInChI=1S/C11H21N3O/c12-10(15)8-11(13)4-1-6-14(7-5-11)9-2-3-9/h9H,1-8,13H2,(H2,12,15)
InChIKeyXRTIKEWEKZDUIA-UHFFFAOYSA-N
XLogP0.21
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-1-methylazepan-4-yl)acetamide
CID 83846985
2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride
CID 75494695
2-(3-amino-1-methylpiperidin-3-yl)acetamide
CID 83682898
2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64678060
2-(1-aminocyclobutyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 79854172
1-cyclopropyl-4-fluoroazepane-4-carboxylic acid
CID 115022243
(3-amino-1-cyclopentylpiperidin-3-yl)methanol
CID 115021565
1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 79842271
2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]acetamide
CID 65233617
2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 79854491
2-(1-amino-3-methylcyclohexyl)acetamide
CID 165483573
2-(4-aminopiperidin-4-yl)acetamide
CID 83682139

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-cyclopropylazepan-4-yl)acetamide?
The IUPAC name of 2-(4-amino-1-cyclopropylazepan-4-yl)acetamide (CID 83848884) is 2-(4-amino-1-cyclopropylazepan-4-yl)acetamide.
What is the SMILES notation for 2-(4-amino-1-cyclopropylazepan-4-yl)acetamide?
The canonical SMILES for 2-(4-amino-1-cyclopropylazepan-4-yl)acetamide is NC(=O)CC1(N)CCCN(C2CC2)CC1.
What is the InChIKey of 2-(4-amino-1-cyclopropylazepan-4-yl)acetamide?
The InChIKey is XRTIKEWEKZDUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-10(15)8-11(13)4-1-6-14(7-5-11)9-2-3-9/h9H,1-8,13H2,(H2,12,15).
What are the key properties of 2-(4-amino-1-cyclopropylazepan-4-yl)acetamide?
2-(4-amino-1-cyclopropylazepan-4-yl)acetamide has a molecular weight of 211.31 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-cyclopropylazepan-4-yl)acetamide is sourced from PubChem (CID 83848884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).