6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide

C13H29N3O — CID 168958989

IUPAC6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
SMILESCNCCCCCC(=O)NCCCNC(C)C
InChIInChI=1S/C13H29N3O/c1-12(2)15-10-7-11-16-13(17)8-5-4-6-9-14-3/h12,14-15H,4-11H2,1-3H3,(H,16,17)
InChIKeyOLVWZWFKAKOODJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.27
Rot. Bonds11

About 6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide

6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide (PubChem CID 168958989) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide.

Molecular Properties

Compound Name6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
PubChem CID168958989
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
SMILESCNCCCCCC(=O)NCCCNC(C)C
InChIInChI=1S/C13H29N3O/c1-12(2)15-10-7-11-16-13(17)8-5-4-6-9-14-3/h12,14-15H,4-11H2,1-3H3,(H,16,17)
InChIKeyOLVWZWFKAKOODJ-UHFFFAOYSA-N
XLogP1.27
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide?
The IUPAC name of 6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide (CID 168958989) is 6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide.
What is the SMILES notation for 6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide?
The canonical SMILES for 6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide is CNCCCCCC(=O)NCCCNC(C)C.
What is the InChIKey of 6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide?
The InChIKey is OLVWZWFKAKOODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(2)15-10-7-11-16-13(17)8-5-4-6-9-14-3/h12,14-15H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide?
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide has a molecular weight of 243.39 g/mol, XLogP of 1.27, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide is sourced from PubChem (CID 168958989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).