2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide

C13H27N3O — CID 54988934

IUPAC2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)C1CCCCCC1CN
InChIInChI=1S/C13H27N3O/c1-10(2)16(9-13(15)17)12-7-5-3-4-6-11(12)8-14/h10-12H,3-9,14H2,1-2H3,(H2,15,17)
InChIKeyGIAOHIQJFJLJAB-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.09
Rot. Bonds5

About 2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide

2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide (PubChem CID 54988934) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide
PubChem CID54988934
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)C1CCCCCC1CN
InChIInChI=1S/C13H27N3O/c1-10(2)16(9-13(15)17)12-7-5-3-4-6-11(12)8-14/h10-12H,3-9,14H2,1-2H3,(H2,15,17)
InChIKeyGIAOHIQJFJLJAB-UHFFFAOYSA-N
XLogP1.09
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide (CID 54988934) is 2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)C1CCCCCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide?
The InChIKey is GIAOHIQJFJLJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)16(9-13(15)17)12-7-5-3-4-6-11(12)8-14/h10-12H,3-9,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide?
2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide has a molecular weight of 241.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 54988934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).