2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide

C15H30N2O2 — CID 71862704

IUPAC2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide
SMILESCC1CC(C)(C)CC(CO)(NCC(=O)NC(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-11(2)17-13(19)8-16-15(10-18)7-12(3)6-14(4,5)9-15/h11-12,16,18H,6-10H2,1-5H3,(H,17,19)
InChIKeyVGPWCALJRLVSGM-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.68
Rot. Bonds5

About 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide

2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide (PubChem CID 71862704) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide
PubChem CID71862704
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide
SMILESCC1CC(C)(C)CC(CO)(NCC(=O)NC(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-11(2)17-13(19)8-16-15(10-18)7-12(3)6-14(4,5)9-15/h11-12,16,18H,6-10H2,1-5H3,(H,17,19)
InChIKeyVGPWCALJRLVSGM-UHFFFAOYSA-N
XLogP1.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide (CID 71862704) is 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide is CC1CC(C)(C)CC(CO)(NCC(=O)NC(C)C)C1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide?
The InChIKey is VGPWCALJRLVSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)17-13(19)8-16-15(10-18)7-12(3)6-14(4,5)9-15/h11-12,16,18H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide?
2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide has a molecular weight of 270.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 71862704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).