2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide

C13H29N3O — CID 113227840

IUPAC2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C)C(C)(C)CN
InChIInChI=1S/C13H29N3O/c1-10(2)7-8-15-12(17)11(3)16(6)13(4,5)9-14/h10-11H,7-9,14H2,1-6H3,(H,15,17)
InChIKeyXFHHSZNOPLTGCV-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds7

About 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide

2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide (PubChem CID 113227840) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide
PubChem CID113227840
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C)C(C)(C)CN
InChIInChI=1S/C13H29N3O/c1-10(2)7-8-15-12(17)11(3)16(6)13(4,5)9-14/h10-11H,7-9,14H2,1-6H3,(H,15,17)
InChIKeyXFHHSZNOPLTGCV-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide
CID 115596141
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide
CID 62007957
2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63758993
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
CID 107494666
2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide
CID 54987708
2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide
CID 63762461
2-(2-amino-2-methylpropyl)sulfinyl-N-(3-methylbutyl)propanamide
CID 81189589
2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63224789
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
CID 61295832
2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
CID 104936395

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide (CID 113227840) is 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)N(C)C(C)(C)CN.
What is the InChIKey of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is XFHHSZNOPLTGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-10(2)7-8-15-12(17)11(3)16(6)13(4,5)9-14/h10-11H,7-9,14H2,1-6H3,(H,15,17).
What are the key properties of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide?
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 113227840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).