2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide

C12H24N2O2 — CID 79812019

IUPAC2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide
SMILESCCC(C)(N)C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-4-12(2,13)11(15)14(3)9-10-5-7-16-8-6-10/h10H,4-9,13H2,1-3H3
InChIKeyLMWKKTQRMFEPRM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide

2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide (PubChem CID 79812019) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide
PubChem CID79812019
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide
SMILESCCC(C)(N)C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-4-12(2,13)11(15)14(3)9-10-5-7-16-8-6-10/h10H,4-9,13H2,1-3H3
InChIKeyLMWKKTQRMFEPRM-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide
CID 65267378
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
2-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylbutanamide
CID 79811820
2-amino-N-(cyclopentylmethyl)-N,2-dimethylpentanamide;hydrochloride
CID 119759251
oxan-4-ylmethyl 2-amino-2-methylbutanoate
CID 79797909
2-amino-N-(cyclohexylmethyl)-2-ethyl-N-methylbutanamide
CID 79812390
2-amino-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pentanamide
CID 63234440
2-amino-N-(cyclopropylmethyl)-2-methyl-N-propylbutanamide
CID 79796804
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
2-amino-2-methyl-N-(oxan-4-yl)butanamide
CID 79797444
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
CID 55226080
2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 79805439

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide?
The IUPAC name of 2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide (CID 79812019) is 2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide?
The canonical SMILES for 2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide is CCC(C)(N)C(=O)N(C)CC1CCOCC1.
What is the InChIKey of 2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide?
The InChIKey is LMWKKTQRMFEPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(2,13)11(15)14(3)9-10-5-7-16-8-6-10/h10H,4-9,13H2,1-3H3.
What are the key properties of 2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide?
2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide is sourced from PubChem (CID 79812019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).