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

C13H29N3O — CID 62009568

IUPAC2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(C)C(C)(CC)CN
InChIInChI=1S/C13H29N3O/c1-6-11(7-2)15-12(17)9-16(5)13(4,8-3)10-14/h11H,6-10,14H2,1-5H3,(H,15,17)
InChIKeyQAHGKPHVNXKIKB-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds8

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

2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide (PubChem CID 62009568) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide
PubChem CID62009568
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(C)C(C)(CC)CN
InChIInChI=1S/C13H29N3O/c1-6-11(7-2)15-12(17)9-16(5)13(4,8-3)10-14/h11H,6-10,14H2,1-5H3,(H,15,17)
InChIKeyQAHGKPHVNXKIKB-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide
CID 62008778
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cyclopropylacetamide
CID 62010381
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide
CID 62548949
2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 61486750
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
CID 54957057
2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 62010198
2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 55207660
2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821960
2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 107426068
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide (CID 62009568) is 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN(C)C(C)(CC)CN.
What is the InChIKey of 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide?
The InChIKey is QAHGKPHVNXKIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-11(7-2)15-12(17)9-16(5)13(4,8-3)10-14/h11H,6-10,14H2,1-5H3,(H,15,17).
What are the key properties of 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide?
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 8 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)-methylamino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 62009568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).