2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide

C15H29N3O — CID 102875096

IUPAC2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide
SMILESNCCN(CC(=O)NC1CCCCCC1)C1CCC1
InChIInChI=1S/C15H29N3O/c16-10-11-18(14-8-5-9-14)12-15(19)17-13-6-3-1-2-4-7-13/h13-14H,1-12,16H2,(H,17,19)
InChIKeyVLCHOQPPXVFASW-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.64
Rot. Bonds6

About 2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide

2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide (PubChem CID 102875096) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide
PubChem CID102875096
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide
SMILESNCCN(CC(=O)NC1CCCCCC1)C1CCC1
InChIInChI=1S/C15H29N3O/c16-10-11-18(14-8-5-9-14)12-15(19)17-13-6-3-1-2-4-7-13/h13-14H,1-12,16H2,(H,17,19)
InChIKeyVLCHOQPPXVFASW-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(cyclopropyl)amino]-N-cycloheptylacetamide
CID 62548939
2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide
CID 43319655
2-[3-aminopropyl(cyclopentyl)amino]-N-cyclopentylacetamide
CID 43319618
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide
CID 43137540
2-[cyclohexyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
CID 60694014
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopropylacetamide
CID 43137486
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481
2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945026
2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide
CID 63760267
N-cycloheptyl-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933007
2-[2-aminoethyl(cyclohexyl)amino]-N,N-diethylacetamide
CID 63760461
2-[3-aminopropyl(cyclopentyl)amino]-N-methylacetamide
CID 43137553

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide?
The IUPAC name of 2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide (CID 102875096) is 2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide is NCCN(CC(=O)NC1CCCCCC1)C1CCC1.
What is the InChIKey of 2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide?
The InChIKey is VLCHOQPPXVFASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c16-10-11-18(14-8-5-9-14)12-15(19)17-13-6-3-1-2-4-7-13/h13-14H,1-12,16H2,(H,17,19).
What are the key properties of 2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide?
2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide has a molecular weight of 267.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide is sourced from PubChem (CID 102875096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).