N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide

C11H25N3O — CID 106915767

IUPACN-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
SMILESCNC(=O)CCN(C)CCCNC(C)C
InChIInChI=1S/C11H25N3O/c1-10(2)13-7-5-8-14(4)9-6-11(15)12-3/h10,13H,5-9H2,1-4H3,(H,12,15)
InChIKeyQFXNBHYIYBHROT-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.44
Rot. Bonds8

About N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide

N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide (PubChem CID 106915767) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
PubChem CID106915767
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
SMILESCNC(=O)CCN(C)CCCNC(C)C
InChIInChI=1S/C11H25N3O/c1-10(2)13-7-5-8-14(4)9-6-11(15)12-3/h10,13H,5-9H2,1-4H3,(H,12,15)
InChIKeyQFXNBHYIYBHROT-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.44
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-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 63694492
3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
CID 106914832
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 163269208
N-methyl-8-[methyl(propyl)amino]octanamide
CID 88909699
3-[3-(dimethylamino)propylamino]-N-methylpropanamide
CID 62325498
N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide
CID 169214766
N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide
CID 82939084
3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide
CID 111107973
4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide
CID 115714185

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide?
The IUPAC name of N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide (CID 106915767) is N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide?
The canonical SMILES for N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide is CNC(=O)CCN(C)CCCNC(C)C.
What is the InChIKey of N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide?
The InChIKey is QFXNBHYIYBHROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-10(2)13-7-5-8-14(4)9-6-11(15)12-3/h10,13H,5-9H2,1-4H3,(H,12,15).
What are the key properties of N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide?
N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide has a molecular weight of 215.34 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide is sourced from PubChem (CID 106915767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).