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

C12H24N2O2 — CID 115155515

IUPAC4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
SMILESCN(CCC1CCOCC1)C(=O)CCCN
InChIInChI=1S/C12H24N2O2/c1-14(12(15)3-2-7-13)8-4-11-5-9-16-10-6-11/h11H,2-10,13H2,1H3
InChIKeyLFPNMBJYZXYSAX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds6

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

4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide (PubChem CID 115155515) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
PubChem CID115155515
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
SMILESCN(CCC1CCOCC1)C(=O)CCCN
InChIInChI=1S/C12H24N2O2/c1-14(12(15)3-2-7-13)8-4-11-5-9-16-10-6-11/h11H,2-10,13H2,1H3
InChIKeyLFPNMBJYZXYSAX-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
CID 115156830
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
4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 120593000
2-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181196
4-amino-N-(cyclopropylmethyl)-N-methylbutanamide
CID 60946266
2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119798084
N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
CID 115163166
2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115179520
7-amino-N-methyl-N-(oxan-4-yl)heptanamide
CID 43611104
6-amino-N-methyl-N-(oxan-4-yl)hexanamide
CID 43611096
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide (CID 115155515) is 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide is CN(CCC1CCOCC1)C(=O)CCCN.
What is the InChIKey of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide?
The InChIKey is LFPNMBJYZXYSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(12(15)3-2-7-13)8-4-11-5-9-16-10-6-11/h11H,2-10,13H2,1H3.
What are the key properties of 4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide?
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.00, 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]butanamide is sourced from PubChem (CID 115155515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).