3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide

C14H28N2O2 — CID 114113698

IUPAC3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide
SMILESCC(C)CC(CN)CC(=O)NC1(C)CCCOC1
InChIInChI=1S/C14H28N2O2/c1-11(2)7-12(9-15)8-13(17)16-14(3)5-4-6-18-10-14/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyOKMSENREZAYPQS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.68
Rot. Bonds6

About 3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide

3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide (PubChem CID 114113698) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide
PubChem CID114113698
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide
SMILESCC(C)CC(CN)CC(=O)NC1(C)CCCOC1
InChIInChI=1S/C14H28N2O2/c1-11(2)7-12(9-15)8-13(17)16-14(3)5-4-6-18-10-14/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyOKMSENREZAYPQS-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methylhexanamide
CID 106101380
N-(3-methyloxan-3-yl)-2-propan-2-yloxyacetamide
CID 103896995
(3-methyloxan-3-yl)urea
CID 103895709
N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944930
3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide
CID 79878870
(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide
CID 79878962
(3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide
CID 79362527
4-amino-3-methoxy-N-(1-methylcyclobutyl)butanamide
CID 103156687
2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide
CID 103899257
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
CID 122159233
2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine
CID 114113989
(2R)-2-amino-4-methyl-N-(1-methylcyclobutyl)pentanamide
CID 104904023

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide (CID 114113698) is 3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide is CC(C)CC(CN)CC(=O)NC1(C)CCCOC1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide?
The InChIKey is OKMSENREZAYPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)7-12(9-15)8-13(17)16-14(3)5-4-6-18-10-14/h11-12H,4-10,15H2,1-3H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide?
3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide has a molecular weight of 256.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-(3-methyloxan-3-yl)hexanamide is sourced from PubChem (CID 114113698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).