2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide

C13H26N2O2 — CID 115758694

IUPAC2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(C)CC1(O)CCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-12(16)11(3)15(4)9-13(17)7-5-6-8-13/h10-11,17H,5-9H2,1-4H3,(H,14,16)
InChIKeySTQQJCPRPBEDRN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds5

About 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide

2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide (PubChem CID 115758694) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide
PubChem CID115758694
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(C)CC1(O)CCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-12(16)11(3)15(4)9-13(17)7-5-6-8-13/h10-11,17H,5-9H2,1-4H3,(H,14,16)
InChIKeySTQQJCPRPBEDRN-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide (CID 115758694) is 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N(C)CC1(O)CCCC1.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide?
The InChIKey is STQQJCPRPBEDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)14-12(16)11(3)15(4)9-13(17)7-5-6-8-13/h10-11,17H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide?
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115758694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).