2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide

C14H27N3O — CID 43137540

IUPAC2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide
SMILESNCCCN(CC(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C14H27N3O/c15-9-4-10-17(13-7-8-13)11-14(18)16-12-5-2-1-3-6-12/h12-13H,1-11,15H2,(H,16,18)
InChIKeyDRLJDVGBDHXYPY-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.25
Rot. Bonds7

About 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide

2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide (PubChem CID 43137540) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide
PubChem CID43137540
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide
SMILESNCCCN(CC(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C14H27N3O/c15-9-4-10-17(13-7-8-13)11-14(18)16-12-5-2-1-3-6-12/h12-13H,1-11,15H2,(H,16,18)
InChIKeyDRLJDVGBDHXYPY-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide
CID 43319655
2-[3-aminopropyl(cyclopentyl)amino]-N-cyclopentylacetamide
CID 43319618
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopropylacetamide
CID 43137486
2-[2-aminoethyl(cyclopropyl)amino]-N-cycloheptylacetamide
CID 62548939
2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide
CID 102875096
2-[cyclohexyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
CID 60694014
2-[3-aminopropyl(cyclopentyl)amino]-N-methylacetamide
CID 43137553
2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945026
2-[3-aminopropyl(cyclopentyl)amino]-N-propan-2-ylacetamide
CID 43137564
2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide
CID 61487094
2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide
CID 43137666
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide (CID 43137540) is 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide is NCCCN(CC(=O)NC1CCCCC1)C1CC1.
What is the InChIKey of 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide?
The InChIKey is DRLJDVGBDHXYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-9-4-10-17(13-7-8-13)11-14(18)16-12-5-2-1-3-6-12/h12-13H,1-11,15H2,(H,16,18).
What are the key properties of 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide?
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide has a molecular weight of 253.39 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide is sourced from PubChem (CID 43137540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).