2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide

C14H26N2O2 — CID 106592649

IUPAC2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)C1CCCC(N)C1
InChIInChI=1S/C14H26N2O2/c1-10(11-4-2-5-12(15)8-11)14(17)16-9-13-6-3-7-18-13/h10-13H,2-9,15H2,1H3,(H,16,17)
InChIKeyIBDVGNBLDBGCOV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.44
Rot. Bonds4

About 2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide

2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 106592649) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID106592649
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)C1CCCC(N)C1
InChIInChI=1S/C14H26N2O2/c1-10(11-4-2-5-12(15)8-11)14(17)16-9-13-6-3-7-18-13/h10-13H,2-9,15H2,1H3,(H,16,17)
InChIKeyIBDVGNBLDBGCOV-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 106592975
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592732
2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 106592824
2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide
CID 106593109
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide
CID 55116671
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide
CID 19176066

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide (CID 106592649) is 2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is IBDVGNBLDBGCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(11-4-2-5-12(15)8-11)14(17)16-9-13-6-3-7-18-13/h10-13H,2-9,15H2,1H3,(H,16,17).
What are the key properties of 2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide?
2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 254.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 106592649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).