2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide

C14H31N3O — CID 107207248

IUPAC2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(C)CCCCCN
InChIInChI=1S/C14H31N3O/c1-6-14(3,4)16-13(18)12(2)17(5)11-9-7-8-10-15/h12H,6-11,15H2,1-5H3,(H,16,18)
InChIKeyIZVLDLLFJMOJCZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.74
Rot. Bonds9

About 2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide

2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 107207248) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID107207248
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(C)CCCCCN
InChIInChI=1S/C14H31N3O/c1-6-14(3,4)16-13(18)12(2)17(5)11-9-7-8-10-15/h12H,6-11,15H2,1-5H3,(H,16,18)
InChIKeyIZVLDLLFJMOJCZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61349502
2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
CID 43116493
3-[methyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]propanoic acid;hydrochloride
CID 119911897
2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350485
2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350303
2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 104556787
2-[2-aminoethyl(propyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350121
2-[2-aminoethyl(methyl)amino]-N-tert-butylpropanamide
CID 61348533
(2R)-N-(2-methylbutan-2-yl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 97087184
(2S)-5-amino-2-methyl-N-(2-methylbutan-2-yl)pentanamide
CID 143373195
2-[2-aminoethyl(cyclopentyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 63760066
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 113342816

Frequently Asked Questions

What is the IUPAC name of 2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide (CID 107207248) is 2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N(C)CCCCCN.
What is the InChIKey of 2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is IZVLDLLFJMOJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-6-14(3,4)16-13(18)12(2)17(5)11-9-7-8-10-15/h12H,6-11,15H2,1-5H3,(H,16,18).
What are the key properties of 2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide 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-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 107207248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).