3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine

C11H24N2O — CID 130678931

IUPAC3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine
SMILESCC(N)C(C)N1CCCOC(C)(C)C1
InChIInChI=1S/C11H24N2O/c1-9(12)10(2)13-6-5-7-14-11(3,4)8-13/h9-10H,5-8,12H2,1-4H3
InChIKeyHNENLFXNXLJWEZ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.22
Rot. Bonds2

About 3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine

3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine (PubChem CID 130678931) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine.

Molecular Properties

Compound Name3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine
PubChem CID130678931
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine
SMILESCC(N)C(C)N1CCCOC(C)(C)C1
InChIInChI=1S/C11H24N2O/c1-9(12)10(2)13-6-5-7-14-11(3,4)8-13/h9-10H,5-8,12H2,1-4H3
InChIKeyHNENLFXNXLJWEZ-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate
CID 130671460
3-(2,2-dimethylmorpholin-4-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408711
2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine
CID 43592633
1-(2,2-dimethylmorpholin-4-yl)-1-(4-methylphenyl)propan-2-amine
CID 55016329
3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine
CID 81011282
1-(4-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55015046
2-cyclopentyl-2-(2,2-dimethylmorpholin-4-yl)ethanamine
CID 62070004
4-(2,2-dimethylmorpholin-4-yl)pentan-1-amine
CID 62433132
(2S)-1-(2,2-dimethyl-1,4-oxazepan-4-yl)-N-methylpropan-2-amine
CID 130652194
2-bromo-1-(2,2-dimethyl-1,4-oxazepan-4-yl)propan-1-one
CID 131207158
1-[2-(2,2-dimethylmorpholin-4-yl)phenyl]ethanamine
CID 43592908
1-(3-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55019551

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine?
The IUPAC name of 3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine (CID 130678931) is 3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine.
What is the SMILES notation for 3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine?
The canonical SMILES for 3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine is CC(N)C(C)N1CCCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine?
The InChIKey is HNENLFXNXLJWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(12)10(2)13-6-5-7-14-11(3,4)8-13/h9-10H,5-8,12H2,1-4H3.
What are the key properties of 3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine?
3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-1,4-oxazepan-4-yl)butan-2-amine is sourced from PubChem (CID 130678931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).