2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide

C15H30N2O2 — CID 55082366

IUPAC2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1(CO)CCCCC1
InChIInChI=1S/C15H30N2O2/c1-4-13(5-2)16-14(19)12(3)17-15(11-18)9-7-6-8-10-15/h12-13,17-18H,4-11H2,1-3H3,(H,16,19)
InChIKeyPYRGLNGBQQMAKP-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.96
Rot. Bonds7

About 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide

2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide (PubChem CID 55082366) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide
PubChem CID55082366
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1(CO)CCCCC1
InChIInChI=1S/C15H30N2O2/c1-4-13(5-2)16-14(19)12(3)17-15(11-18)9-7-6-8-10-15/h12-13,17-18H,4-11H2,1-3H3,(H,16,19)
InChIKeyPYRGLNGBQQMAKP-UHFFFAOYSA-N
XLogP1.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.96
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-pentan-3-ylpropanamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide (CID 55082366) is 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NC1(CO)CCCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide?
The InChIKey is PYRGLNGBQQMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-13(5-2)16-14(19)12(3)17-15(11-18)9-7-6-8-10-15/h12-13,17-18H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide?
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 1.96, 7 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-pentan-3-ylpropanamide is sourced from PubChem (CID 55082366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).