2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide

C13H26N2O2 — CID 55082365

IUPAC2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-12(17)11(3)15-13(9-16)7-5-4-6-8-13/h10-11,15-16H,4-9H2,1-3H3,(H,14,17)
InChIKeyRWEBFIZCPNBYQX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.18
Rot. Bonds5

About 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide

2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide (PubChem CID 55082365) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
PubChem CID55082365
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC1(CO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-12(17)11(3)15-13(9-16)7-5-4-6-8-13/h10-11,15-16H,4-9H2,1-3H3,(H,14,17)
InChIKeyRWEBFIZCPNBYQX-UHFFFAOYSA-N
XLogP1.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide (CID 55082365) is 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NC1(CO)CCCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is RWEBFIZCPNBYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)14-12(17)11(3)15-13(9-16)7-5-4-6-8-13/h10-11,15-16H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide?
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 55082365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).