N'-[3-(dimethylamino)propyl]hexanediamide

C11H23N3O2 — CID 174324158

IUPACN'-[3-(dimethylamino)propyl]hexanediamide
SMILESCN(C)CCCNC(=O)CCCCC(N)=O
InChIInChI=1S/C11H23N3O2/c1-14(2)9-5-8-13-11(16)7-4-3-6-10(12)15/h3-9H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeySSJHVKRSTZGZBK-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.10
Rot. Bonds9

About N'-[3-(dimethylamino)propyl]hexanediamide

N'-[3-(dimethylamino)propyl]hexanediamide (PubChem CID 174324158) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]hexanediamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]hexanediamide
PubChem CID174324158
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-[3-(dimethylamino)propyl]hexanediamide
SMILESCN(C)CCCNC(=O)CCCCC(N)=O
InChIInChI=1S/C11H23N3O2/c1-14(2)9-5-8-13-11(16)7-4-3-6-10(12)15/h3-9H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeySSJHVKRSTZGZBK-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.10
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

10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
CID 23187599
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]hexanediamide?
The IUPAC name of N'-[3-(dimethylamino)propyl]hexanediamide (CID 174324158) is N'-[3-(dimethylamino)propyl]hexanediamide.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]hexanediamide?
The canonical SMILES for N'-[3-(dimethylamino)propyl]hexanediamide is CN(C)CCCNC(=O)CCCCC(N)=O.
What is the InChIKey of N'-[3-(dimethylamino)propyl]hexanediamide?
The InChIKey is SSJHVKRSTZGZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-14(2)9-5-8-13-11(16)7-4-3-6-10(12)15/h3-9H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of N'-[3-(dimethylamino)propyl]hexanediamide?
N'-[3-(dimethylamino)propyl]hexanediamide has a molecular weight of 229.32 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]hexanediamide is sourced from PubChem (CID 174324158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).