4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide

C13H26N2O2 — CID 115156830

IUPAC4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
SMILESCC(N)CCC(=O)N(C)CCC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-11(14)3-4-13(16)15(2)8-5-12-6-9-17-10-7-12/h11-12H,3-10,14H2,1-2H3
InChIKeyNMNJSRLMZWTAFU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide

4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide (PubChem CID 115156830) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
PubChem CID115156830
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
SMILESCC(N)CCC(=O)N(C)CCC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-11(14)3-4-13(16)15(2)8-5-12-6-9-17-10-7-12/h11-12H,3-10,14H2,1-2H3
InChIKeyNMNJSRLMZWTAFU-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115155515
2-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181196
5-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 82852241
N-(2-hydroxyethyl)-N-methyl-3-(oxan-4-yl)propanamide
CID 84578578
3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115163624
2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115179520
4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 120593000
3-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181361
2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119798084
4-[4-(oxan-4-yl)butylsulfonyl]butan-2-amine
CID 114192898
N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 119659339
3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclopentane-1-carboxamide
CID 119798087

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide?
The IUPAC name of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide (CID 115156830) is 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide is CC(N)CCC(=O)N(C)CCC1CCOCC1.
What is the InChIKey of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide?
The InChIKey is NMNJSRLMZWTAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(14)3-4-13(16)15(2)8-5-12-6-9-17-10-7-12/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide?
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide is sourced from PubChem (CID 115156830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).