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

2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide
CID 63760267
2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide
CID 43137666
2-[3-aminopropyl(cyclopentyl)amino]-N-propan-2-ylacetamide
CID 43137564
2-[3-aminopropyl(cyclopentyl)amino]-N-methylacetamide
CID 43137553
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-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
CID 54957057
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopropylacetamide
CID 43137486
2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone
CID 43319620
2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide
CID 102875096

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).