N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide

C12H26N2O2 — CID 106357251

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)9(7-8-13)14-10(15)12(4,5)16-6/h9H,7-8,13H2,1-6H3,(H,14,15)
InChIKeyVDNSUCBFIJJNIG-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds5

About N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide

N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide (PubChem CID 106357251) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide
PubChem CID106357251
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)9(7-8-13)14-10(15)12(4,5)16-6/h9H,7-8,13H2,1-6H3,(H,14,15)
InChIKeyVDNSUCBFIJJNIG-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide (CID 106357251) is N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC(CCN)C(C)(C)C.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is VDNSUCBFIJJNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2,3)9(7-8-13)14-10(15)12(4,5)16-6/h9H,7-8,13H2,1-6H3,(H,14,15).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 106357251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).