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

C16H33N3O — CID 43137666

IUPAC2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(CCCN)C1CCCCCC1
InChIInChI=1S/C16H33N3O/c1-3-14(2)18-16(20)13-19(12-8-11-17)15-9-6-4-5-7-10-15/h14-15H,3-13,17H2,1-2H3,(H,18,20)
InChIKeyJPGJHWLHRKPAOX-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.27
Rot. Bonds8

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

2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide (PubChem CID 43137666) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide
PubChem CID43137666
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(CCCN)C1CCCCCC1
InChIInChI=1S/C16H33N3O/c1-3-14(2)18-16(20)13-19(12-8-11-17)15-9-6-4-5-7-10-15/h14-15H,3-13,17H2,1-2H3,(H,18,20)
InChIKeyJPGJHWLHRKPAOX-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide
CID 61487094
2-[3-aminopropyl(cyclopentyl)amino]-N-propan-2-ylacetamide
CID 43137564
2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide
CID 63760267
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(cyclopentyl)amino]-1-piperidin-1-ylethanone
CID 43319620
N-butan-2-yl-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60805793
N-(3-aminopropyl)-N-cyclohexyl-2-methylbutanamide
CID 43136859
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopropylacetamide
CID 43137486
2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide
CID 43137645

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide?
The IUPAC name of 2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide (CID 43137666) is 2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN(CCCN)C1CCCCCC1.
What is the InChIKey of 2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide?
The InChIKey is JPGJHWLHRKPAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-3-14(2)18-16(20)13-19(12-8-11-17)15-9-6-4-5-7-10-15/h14-15H,3-13,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide?
2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide has a molecular weight of 283.46 g/mol, XLogP of 2.27, 8 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-butan-2-ylacetamide is sourced from PubChem (CID 43137666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).