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

C14H31N3O — CID 43137419

IUPAC2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(CCCN)C(C)C
InChIInChI=1S/C14H31N3O/c1-6-8-12(4)16-14(18)13(5)17(11(2)3)10-7-9-15/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyKQWDUUTXXFRICN-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.74
Rot. Bonds9

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

2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide (PubChem CID 43137419) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide
PubChem CID43137419
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(CCCN)C(C)C
InChIInChI=1S/C14H31N3O/c1-6-8-12(4)16-14(18)13(5)17(11(2)3)10-7-9-15/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyKQWDUUTXXFRICN-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 43137331
2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide
CID 43137511
2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide
CID 61490080
2-[2-[di(propan-2-yl)amino]ethylamino]-N-pentan-2-ylpropanamide
CID 43113241
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-2-ylpropanamide
CID 62014640
(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide
CID 95236092
2-[[3-aminopropyl(methyl)sulfamoyl]amino]pentane
CID 61456420
2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350303
N'-butan-2-yl-N'-propan-2-ylpropane-1,3-diamine
CID 43137443
2-iodo-N-pentan-2-ylbutanamide
CID 149238445

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide (CID 43137419) is 2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N(CCCN)C(C)C.
What is the InChIKey of 2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide?
The InChIKey is KQWDUUTXXFRICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-6-8-12(4)16-14(18)13(5)17(11(2)3)10-7-9-15/h11-13H,6-10,15H2,1-5H3,(H,16,18).
What are the key properties of 2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide?
2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide has a molecular weight of 257.42 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43137419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).