N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide

C13H26N2O2 — CID 114246107

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide
SMILESCCCCC(C)C(=O)N(C)CC1(O)CCNC1
InChIInChI=1S/C13H26N2O2/c1-4-5-6-11(2)12(16)15(3)10-13(17)7-8-14-9-13/h11,14,17H,4-10H2,1-3H3
InChIKeyFZXCUSVLBKYSIC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.00
Rot. Bonds6

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide (PubChem CID 114246107) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide
PubChem CID114246107
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide
SMILESCCCCC(C)C(=O)N(C)CC1(O)CCNC1
InChIInChI=1S/C13H26N2O2/c1-4-5-6-11(2)12(16)15(3)10-13(17)7-8-14-9-13/h11,14,17H,4-10H2,1-3H3
InChIKeyFZXCUSVLBKYSIC-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide
CID 114873917
3-(2-ethylhexyl)pyrrolidin-3-ol
CID 63587547
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-propan-2-ylbenzamide
CID 114760168
3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761156
2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide
CID 114761362
N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
CID 114761300
3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride
CID 46941652
2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
CID 114760166
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 114760219
N,N-dihydroxy-2-methylhexanamide
CID 90954167
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 114948694
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948885

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide (CID 114246107) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide is CCCCC(C)C(=O)N(C)CC1(O)CCNC1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide?
The InChIKey is FZXCUSVLBKYSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-6-11(2)12(16)15(3)10-13(17)7-8-14-9-13/h11,14,17H,4-10H2,1-3H3.
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide is sourced from PubChem (CID 114246107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).