2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide

C17H35N3O — CID 61487094

IUPAC2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(CCCN)C1CCCCCC1
InChIInChI=1S/C17H35N3O/c1-3-15(4-2)19-17(21)14-20(13-9-12-18)16-10-7-5-6-8-11-16/h15-16H,3-14,18H2,1-2H3,(H,19,21)
InChIKeyHXKRQLMPBGLXSR-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.66
Rot. Bonds9

About 2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide

2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide (PubChem CID 61487094) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide
PubChem CID61487094
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(CCCN)C1CCCCCC1
InChIInChI=1S/C17H35N3O/c1-3-15(4-2)19-17(21)14-20(13-9-12-18)16-10-7-5-6-8-11-16/h15-16H,3-14,18H2,1-2H3,(H,19,21)
InChIKeyHXKRQLMPBGLXSR-UHFFFAOYSA-N
XLogP2.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-N'-cyclopropylethanediamide
CID 2988951
N-cycloheptyl-N'-cyclopentylethanediamide
CID 2289633
N-cycloheptyl-2-formamidoacetamide
CID 3240875
2,3-diamino-N-dodecylpropanamide
CID 10492360
N-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 49855131
N,N'-Dioctyloxamide
CID 344946
N-cycloheptyl-N'-isopropylethanediamide
CID 2286863
2,4-diamino-N-dodecylbutanamide
CID 10779524
2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide
CID 10780520
2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-N-[2-(dioctadecylamino)-2-oxoethyl]acetamide
CID 9940725
(2S)-2,4-diamino-N-tetradecylbutanamide
CID 127038932
(2R)-2,3-diamino-N-tetradecylpropanamide
CID 146301991

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide (CID 61487094) is 2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN(CCCN)C1CCCCCC1.
What is the InChIKey of 2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide?
The InChIKey is HXKRQLMPBGLXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-3-15(4-2)19-17(21)14-20(13-9-12-18)16-10-7-5-6-8-11-16/h15-16H,3-14,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide?
2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide has a molecular weight of 297.49 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61487094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).