2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide

C13H26N2O2 — CID 106593109

IUPAC2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide
SMILESCOC(C)CNC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-9(17-3)8-15-13(16)10(2)11-5-4-6-12(14)7-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyXFHLTQPRGPSDNT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds5

About 2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide

2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide (PubChem CID 106593109) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide
PubChem CID106593109
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide
SMILESCOC(C)CNC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-9(17-3)8-15-13(16)10(2)11-5-4-6-12(14)7-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyXFHLTQPRGPSDNT-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 106592649
2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592732
2-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 106592660
2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 106592824
3-amino-N-(2-methoxypropyl)cyclopentane-1-carboxamide
CID 102695070
2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide
CID 106592825
2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide
CID 106592764
2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
CID 106592721
2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide
CID 106592741
2-(3-aminocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 106592975
tert-butyl 2-(3-aminocyclohexyl)propanoate
CID 163419841

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide (CID 106593109) is 2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide is COC(C)CNC(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide?
The InChIKey is XFHLTQPRGPSDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(17-3)8-15-13(16)10(2)11-5-4-6-12(14)7-11/h9-12H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide?
2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide is sourced from PubChem (CID 106593109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).