2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide

C13H26N2O2 — CID 54950879

IUPAC2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCC1(O)CCCCCC1)C(=O)N(C)C
InChIInChI=1S/C13H26N2O2/c1-11(12(16)15(2)3)14-10-13(17)8-6-4-5-7-9-13/h11,14,17H,4-10H2,1-3H3
InChIKeyYWDQNMZEIMQWES-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds4

About 2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide

2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 54950879) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide
PubChem CID54950879
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCC1(O)CCCCCC1)C(=O)N(C)C
InChIInChI=1S/C13H26N2O2/c1-11(12(16)15(2)3)14-10-13(17)8-6-4-5-7-9-13/h11,14,17H,4-10H2,1-3H3
InChIKeyYWDQNMZEIMQWES-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]-N-methylpropanamide
CID 103108861
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N,N-dimethylpropanamide
CID 65118585
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N,N-dimethylpropanamide
CID 115359532
2-[(3-hydroxyoxolan-3-yl)methylamino]-N,N-dimethylpropanamide
CID 106100495
2-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpropanamide
CID 105416686
tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate
CID 66338142
2-[(1-hydroxycyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 65111296
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
methyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122312
1-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]cycloheptan-1-ol
CID 54954236
2-[(1-hydroxycyclopentyl)methylamino]-N-pentan-2-ylpropanamide
CID 65109113

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide (CID 54950879) is 2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide is CC(NCC1(O)CCCCCC1)C(=O)N(C)C.
What is the InChIKey of 2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is YWDQNMZEIMQWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(12(16)15(2)3)14-10-13(17)8-6-4-5-7-9-13/h11,14,17H,4-10H2,1-3H3.
What are the key properties of 2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide?
2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54950879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).