N,N-di(propan-2-yl)oxan-4-amine

C11H23NO — CID 22975544

IUPACN,N-di(propan-2-yl)oxan-4-amine
SMILESCC(C)N(C(C)C)C1CCOCC1
InChIInChI=1S/C11H23NO/c1-9(2)12(10(3)4)11-5-7-13-8-6-11/h9-11H,5-8H2,1-4H3
InChIKeyFQSWWOSHSRCIRC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.28
Rot. Bonds3

About N,N-di(propan-2-yl)oxan-4-amine

N,N-di(propan-2-yl)oxan-4-amine (PubChem CID 22975544) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N-di(propan-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)oxan-4-amine
PubChem CID22975544
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,N-di(propan-2-yl)oxan-4-amine
SMILESCC(C)N(C(C)C)C1CCOCC1
InChIInChI=1S/C11H23NO/c1-9(2)12(10(3)4)11-5-7-13-8-6-11/h9-11H,5-8H2,1-4H3
InChIKeyFQSWWOSHSRCIRC-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Propan-2-yl)oxan-4-amine
CID 21709941
US10214537, Example 169
CID 130331240
Piperidine, 1-(3'-butoxy)propyl-2-methyl-
CID 113959
Piperidine, 1-(3-butoxypropyl)-2-methyl-, hydrochloride
CID 3051270
N-cyclohexyl-N-methyloxan-4-amine
CID 156019738
N-Propyltetrahydro-2H-pyran-4-amine
CID 18348908
N,N-Dimethyltetrahydro-2H-pyran-4-amine
CID 10176150
3-fluoro-N,N-dimethyloxan-4-amine
CID 58035392
N-ethyl-N-fluorooxan-4-amine
CID 145148759
N-tert-butyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 177284412
N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 115257837
N-(5-fluoropentyl)-N-propan-2-yloxan-4-amine
CID 121527515

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)oxan-4-amine?
The IUPAC name of N,N-di(propan-2-yl)oxan-4-amine (CID 22975544) is N,N-di(propan-2-yl)oxan-4-amine.
What is the SMILES notation for N,N-di(propan-2-yl)oxan-4-amine?
The canonical SMILES for N,N-di(propan-2-yl)oxan-4-amine is CC(C)N(C(C)C)C1CCOCC1.
What is the InChIKey of N,N-di(propan-2-yl)oxan-4-amine?
The InChIKey is FQSWWOSHSRCIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)12(10(3)4)11-5-7-13-8-6-11/h9-11H,5-8H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)oxan-4-amine?
N,N-di(propan-2-yl)oxan-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)oxan-4-amine is sourced from PubChem (CID 22975544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).