(2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine

C11H24N2O — CID 130652194

IUPAC(2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine
SMILESCN[C@@H](C)CN1CCCOC(C)(C)C1
InChIInChI=1S/C11H24N2O/c1-10(12-4)8-13-6-5-7-14-11(2,3)9-13/h10,12H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyZMFRLDYTANJWGU-JTQLQIEISA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds3

About (2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine

(2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine (PubChem CID 130652194) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine
PubChem CID130652194
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine
SMILESCN[C@@H](C)CN1CCCOC(C)(C)C1
InChIInChI=1S/C11H24N2O/c1-10(12-4)8-13-6-5-7-14-11(2,3)9-13/h10,12H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyZMFRLDYTANJWGU-JTQLQIEISA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide
CID 130684724
3-(2,2-dimethyl-1,4-oxazepan-4-yl)propanenitrile
CID 131173038
2,2-dimethyl-4-pent-4-ynyl-1,4-oxazepane
CID 130917747
1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 43592748
3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine
CID 130678931
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine
CID 62559338
2,2-dimethyl-3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutan-1-ol
CID 112633726
methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate
CID 130671460
(2S)-1-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylpropan-2-amine
CID 130564074
7,7-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864093
2-bromo-1-(2,2-dimethyl-1,4-oxazepan-4-yl)propan-1-one
CID 131207158
2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine
CID 62432232

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine?
The IUPAC name of (2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine (CID 130652194) is (2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine.
What is the SMILES notation for (2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine?
The canonical SMILES for (2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine is CN[C@@H](C)CN1CCCOC(C)(C)C1.
What is the InChIKey of (2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine?
The InChIKey is ZMFRLDYTANJWGU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(12-4)8-13-6-5-7-14-11(2,3)9-13/h10,12H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine?
(2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 130652194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).