2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide

C12H24N2O2 — CID 107472463

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CCOC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)6-9(7-13)11(15)14-10-4-5-16-8-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyQEANOKKNVATEPZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds4

About 2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide (PubChem CID 107472463) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide
PubChem CID107472463
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CCOC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)6-9(7-13)11(15)14-10-4-5-16-8-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyQEANOKKNVATEPZ-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide
CID 107472621
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
3-amino-2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 80717739
2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
CID 107472858
ethyl 3,3-dimethyl-2-(oxolan-3-ylcarbamoyl)butanoate
CID 116538202
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 107472105
2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide
CID 107471991
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
CID 107472961
4-amino-4-methyl-N-(oxolan-3-yl)pentanamide
CID 80713467
2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide
CID 107472255

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide (CID 107472463) is 2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide is CC(C)(C)CC(CN)C(=O)NC1CCOC1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide?
The InChIKey is QEANOKKNVATEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)6-9(7-13)11(15)14-10-4-5-16-8-10/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide is sourced from PubChem (CID 107472463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).