2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide

C16H32N2O2 — CID 83029071

IUPAC2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide
SMILESCCC1(CC)CC(NC(=O)C(CN)CC(C)C)CCO1
InChIInChI=1S/C16H32N2O2/c1-5-16(6-2)10-14(7-8-20-16)18-15(19)13(11-17)9-12(3)4/h12-14H,5-11,17H2,1-4H3,(H,18,19)
InChIKeyPTABNJOHONRLCU-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.46
Rot. Bonds7

About 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide

2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide (PubChem CID 83029071) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide
PubChem CID83029071
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide
SMILESCCC1(CC)CC(NC(=O)C(CN)CC(C)C)CCO1
InChIInChI=1S/C16H32N2O2/c1-5-16(6-2)10-14(7-8-20-16)18-15(19)13(11-17)9-12(3)4/h12-14H,5-11,17H2,1-4H3,(H,18,19)
InChIKeyPTABNJOHONRLCU-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide
CID 83036657
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)-3,3-dimethylbutanamide
CID 112555896
2-amino-N-(2,2-diethyloxan-4-yl)butanediamide
CID 83028377
3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide
CID 83028921
(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide
CID 104908950
1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide
CID 83033815
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
1-amino-N-(2,2-diethyloxan-4-yl)cyclobutane-1-carboxamide
CID 83028998
1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
CID 83033488
3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid
CID 83028908

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide (CID 83029071) is 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide is CCC1(CC)CC(NC(=O)C(CN)CC(C)C)CCO1.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide?
The InChIKey is PTABNJOHONRLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-16(6-2)10-14(7-8-20-16)18-15(19)13(11-17)9-12(3)4/h12-14H,5-11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide?
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide has a molecular weight of 284.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide is sourced from PubChem (CID 83029071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).