2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide

C15H30N2O2 — CID 107472621

IUPAC2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C15H30N2O2/c1-14(2,3)8-11(10-16)13(18)17-12-6-7-19-15(4,5)9-12/h11-12H,6-10,16H2,1-5H3,(H,17,18)
InChIKeyNKPNMXRHKZLUPK-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.07
Rot. Bonds4

About 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide (PubChem CID 107472621) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide
PubChem CID107472621
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C15H30N2O2/c1-14(2,3)8-11(10-16)13(18)17-12-6-7-19-15(4,5)9-12/h11-12H,6-10,16H2,1-5H3,(H,17,18)
InChIKeyNKPNMXRHKZLUPK-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 83033100
N-(2,2-dimethyloxan-4-yl)-2-methylpropanamide
CID 66579161
(3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 67291396
5,5-dimethyl-N-(oxan-4-yl)hexanamide
CID 68167637
N-(2,2-dimethyloxan-4-yl)propanamide
CID 115563905
N-(2,2-dimethyloxan-4-yl)-2-ethylpentanamide
CID 145690340
2-ethyl-N-(oxan-4-yl)pentanamide
CID 146386693
N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 168942871
2,2,4-trimethyl-N-(oxan-4-yl)pentanamide
CID 177141406
3-amino-N-(oxan-3-ylmethyl)butanamide
CID 61019473
1-(aminomethyl)-N-(oxan-4-yl)cyclopentane-1-carboxamide
CID 61831451
2-(aminomethyl)-2-ethyl-N-(oxan-4-yl)butanamide
CID 61831839

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide (CID 107472621) is 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide?
The InChIKey is NKPNMXRHKZLUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14(2,3)8-11(10-16)13(18)17-12-6-7-19-15(4,5)9-12/h11-12H,6-10,16H2,1-5H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide has a molecular weight of 270.42 g/mol, XLogP of 2.07, 4 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-dimethyloxan-4-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107472621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).