2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide

C13H26N2O2 — CID 114948724

IUPAC2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide
SMILESCCC(C)(CN)C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C13H26N2O2/c1-4-12(2,9-14)11(16)15(3)10-13(17)7-5-6-8-13/h17H,4-10,14H2,1-3H3
InChIKeyCXWKETMABRELTK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds5

About 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide

2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide (PubChem CID 114948724) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide
PubChem CID114948724
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide
SMILESCCC(C)(CN)C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C13H26N2O2/c1-4-12(2,9-14)11(16)15(3)10-13(17)7-5-6-8-13/h17H,4-10,14H2,1-3H3
InChIKeyCXWKETMABRELTK-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide
CID 114948691
2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 114037872
2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide
CID 113270028
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylbutanamide
CID 114290798
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
CID 114290836
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 104985342
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760027
2-[(1-hydroxycyclopentyl)methyl]-2-methylbutanoic acid
CID 79425811
N-[(1-hydroxycyclopentyl)methyl]-N-methylprop-2-ynamide
CID 115764401
ethyl 2-amino-3-[(1-hydroxycyclopentyl)methyl-methylamino]-3-oxopropanoate
CID 114949038
1-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 114948730

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide (CID 114948724) is 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide is CCC(C)(CN)C(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide?
The InChIKey is CXWKETMABRELTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-12(2,9-14)11(16)15(3)10-13(17)7-5-6-8-13/h17H,4-10,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide?
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 114948724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).