3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide

C17H34N2O2 — CID 83036657

IUPAC3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide
SMILESCCC1(CC)CC(NC(=O)CC(CN)CC(C)C)CCO1
InChIInChI=1S/C17H34N2O2/c1-5-17(6-2)11-15(7-8-21-17)19-16(20)10-14(12-18)9-13(3)4/h13-15H,5-12,18H2,1-4H3,(H,19,20)
InChIKeyFPHQTHAWAKHFPX-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.85
Rot. Bonds8

About 3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide

3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide (PubChem CID 83036657) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide
PubChem CID83036657
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide
SMILESCCC1(CC)CC(NC(=O)CC(CN)CC(C)C)CCO1
InChIInChI=1S/C17H34N2O2/c1-5-17(6-2)11-15(7-8-21-17)19-16(20)10-14(12-18)9-13(3)4/h13-15H,5-12,18H2,1-4H3,(H,19,20)
InChIKeyFPHQTHAWAKHFPX-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide
CID 83029071
3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide
CID 83028921
3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide
CID 114145179
(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
CID 83029138
2-amino-N-(2,2-diethyloxan-4-yl)butanediamide
CID 83028377
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
CID 83033488
(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide
CID 104908950
(3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide
CID 79362527
1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide
CID 83033815
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
N-cyclopropyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032670

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide (CID 83036657) is 3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide is CCC1(CC)CC(NC(=O)CC(CN)CC(C)C)CCO1.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide?
The InChIKey is FPHQTHAWAKHFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-17(6-2)11-15(7-8-21-17)19-16(20)10-14(12-18)9-13(3)4/h13-15H,5-12,18H2,1-4H3,(H,19,20).
What are the key properties of 3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide?
3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide has a molecular weight of 298.47 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide is sourced from PubChem (CID 83036657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).