2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide

C15H33N3O — CID 62008778

IUPAC2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide
SMILESCCCN(CC(=O)NC(CC)CC)C(C)(CC)CN
InChIInChI=1S/C15H33N3O/c1-6-10-18(15(5,9-4)12-16)11-14(19)17-13(7-2)8-3/h13H,6-12,16H2,1-5H3,(H,17,19)
InChIKeyCWEQSESCIISFDB-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.13
Rot. Bonds10

About 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide

2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide (PubChem CID 62008778) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide
PubChem CID62008778
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide
SMILESCCCN(CC(=O)NC(CC)CC)C(C)(CC)CN
InChIInChI=1S/C15H33N3O/c1-6-10-18(15(5,9-4)12-16)11-14(19)17-13(7-2)8-3/h13H,6-12,16H2,1-5H3,(H,17,19)
InChIKeyCWEQSESCIISFDB-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide
CID 62009568
2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
CID 54957057
2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 61486750
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide
CID 63891389
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62009786
2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 62007770
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
CID 79360585
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate
CID 61035559
N-(1-aminopentan-3-yl)hexanamide
CID 62652516
2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide
CID 62008377
2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide
CID 63760267

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide (CID 62008778) is 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide is CCCN(CC(=O)NC(CC)CC)C(C)(CC)CN.
What is the InChIKey of 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide?
The InChIKey is CWEQSESCIISFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-10-18(15(5,9-4)12-16)11-14(19)17-13(7-2)8-3/h13H,6-12,16H2,1-5H3,(H,17,19).
What are the key properties of 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide?
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide has a molecular weight of 271.45 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 62008778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).