3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide

C12H26N2O2 — CID 115906805

IUPAC3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NCCCCCCO
InChIInChI=1S/C12H26N2O2/c1-11(10-12(16)14(2)3)13-8-6-4-5-7-9-15/h11,13,15H,4-10H2,1-3H3
InChIKeySKCCQIFVXNOVKP-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.00
Rot. Bonds9

About 3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide

3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide (PubChem CID 115906805) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide
PubChem CID115906805
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NCCCCCCO
InChIInChI=1S/C12H26N2O2/c1-11(10-12(16)14(2)3)13-8-6-4-5-7-9-15/h11,13,15H,4-10H2,1-3H3
InChIKeySKCCQIFVXNOVKP-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.00
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

3-[[(2R)-2-hydroxypropyl]amino]-N,N-dimethylbutanamide
CID 103906702
4-(6-hydroxyhexylamino)pentanoic acid
CID 107849657
3-(2-cyclopentylethylamino)-N,N-dimethylbutanamide
CID 115708191
3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide
CID 103789069
3-(ethylamino)-N-(5-hydroxypentyl)butanamide
CID 107317725
11-hydroxy-N,N-dimethylundecanamide
CID 14819907
6-(1-hydroxyethylamino)hexan-1-ol
CID 57216176
12-hydroxy-N,N-dimethyldodecanamide
CID 14819908
3-[1-(dimethylamino)propan-2-ylamino]propan-1-ol
CID 82937925
3-(5-hydroxypentyl)-1,1-dimethylurea
CID 107302711
4-(propan-2-ylamino)butan-1-ol
CID 12950986
3-(undecylamino)butanoic acid
CID 57087674

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide?
The IUPAC name of 3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide (CID 115906805) is 3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide.
What is the SMILES notation for 3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide?
The canonical SMILES for 3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide is CC(CC(=O)N(C)C)NCCCCCCO.
What is the InChIKey of 3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide?
The InChIKey is SKCCQIFVXNOVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(10-12(16)14(2)3)13-8-6-4-5-7-9-15/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide?
3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide is sourced from PubChem (CID 115906805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).