N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide

C12H27N3O — CID 82939084

IUPACN-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-10(2)13-8-6-7-12(16)14-11(3)9-15(4)5/h10-11,13H,6-9H2,1-5H3,(H,14,16)
InChIKeyMYVSXBHILYNPHJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.83
Rot. Bonds8

About N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide

N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide (PubChem CID 82939084) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide
PubChem CID82939084
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-10(2)13-8-6-7-12(16)14-11(3)9-15(4)5/h10-11,13H,6-9H2,1-5H3,(H,14,16)
InChIKeyMYVSXBHILYNPHJ-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.83
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

N-[1-(dimethylamino)propan-2-yl]-5-hydroxypentanamide
CID 82949799
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
N-(1-cyclopropylethyl)-4-(propan-2-ylamino)butanamide
CID 60849186
3-hydroxy-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid
CID 61157375
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
methyl (2S)-3-methyl-2-[4-(propan-2-ylamino)butanoylamino]butanoate
CID 54904401
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
CID 60850068
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
3-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61160431

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide (CID 82939084) is N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NC(C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide?
The InChIKey is MYVSXBHILYNPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(2)13-8-6-7-12(16)14-11(3)9-15(4)5/h10-11,13H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide?
N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide has a molecular weight of 229.37 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 82939084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).