(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide

C13H26N2O2 — CID 98773286

IUPAC(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-4-5-12(14)13(16)15(2)10-11-6-8-17-9-7-11/h11-12H,3-10,14H2,1-2H3/t12-/m0/s1
InChIKeyHMDOZSRMWRVZMZ-LBPRGKRZSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About (2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide

(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide (PubChem CID 98773286) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
PubChem CID98773286
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-4-5-12(14)13(16)15(2)10-11-6-8-17-9-7-11/h11-12H,3-10,14H2,1-2H3/t12-/m0/s1
InChIKeyHMDOZSRMWRVZMZ-LBPRGKRZSA-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

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
(2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one
CID 91660181
3-(2-Methylpropyl)-4-(oxane-4-carbonyl)piperazin-2-one
CID 121516011
N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908863
2-amino-N-(2,2-difluoroethyl)-N-methyl-2-(oxan-4-yl)acetamide
CID 120790112
2-amino-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(oxan-4-yl)acetamide
CID 120799652
N-(1-aminopropan-2-yl)oxane-4-carboxamide
CID 19797577
2-Amino-3-methyl-1-morpholin-4-ylpentan-1-one
CID 22492013
4-(L-isoleucinyl)morpholine
CID 22894947
3-(Methylamino)-1-(oxan-4-ylmethyl)azepan-2-one
CID 22984913
4-Methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one
CID 22985068

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide (CID 98773286) is (2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide is CCCC[C@H](N)C(=O)N(C)CC1CCOCC1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide?
The InChIKey is HMDOZSRMWRVZMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-5-12(14)13(16)15(2)10-11-6-8-17-9-7-11/h11-12H,3-10,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide?
(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide 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 (2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide is sourced from PubChem (CID 98773286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).