2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide

C14H31N3O — CID 43137331

IUPAC2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(CCC)CCCN
InChIInChI=1S/C14H31N3O/c1-5-8-12(3)16-14(18)13(4)17(10-6-2)11-7-9-15/h12-13H,5-11,15H2,1-4H3,(H,16,18)
InChIKeyULAFYBSYUVWHBN-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.74
Rot. Bonds10

About 2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide

2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide (PubChem CID 43137331) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
PubChem CID43137331
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(CCC)CCCN
InChIInChI=1S/C14H31N3O/c1-5-8-12(3)16-14(18)13(4)17(10-6-2)11-7-9-15/h12-13H,5-11,15H2,1-4H3,(H,16,18)
InChIKeyULAFYBSYUVWHBN-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 62014640
2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide
CID 43137419
2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide
CID 43137351
2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide
CID 43137511
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368
N-butan-2-yl-2-[butyl(2-hydroxyethyl)amino]propanamide
CID 62016390
2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide
CID 61490080
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 107485178
2-[2-hydroxyethyl(methyl)amino]-N-pentan-2-ylpropanamide
CID 62020256
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide
CID 115596141
2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
CID 62014639
2-[2-aminoethyl(propyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350121

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide (CID 43137331) is 2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N(CCC)CCCN.
What is the InChIKey of 2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide?
The InChIKey is ULAFYBSYUVWHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-8-12(3)16-14(18)13(4)17(10-6-2)11-7-9-15/h12-13H,5-11,15H2,1-4H3,(H,16,18).
What are the key properties of 2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide?
2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide has a molecular weight of 257.42 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43137331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).