N-methyl-N-propyloxan-4-amine

C9H19NO — CID 9898896

IUPACN-methyl-N-propyloxan-4-amine
SMILESCCCN(C)C1CCOCC1
InChIInChI=1S/C9H19NO/c1-3-6-10(2)9-4-7-11-8-5-9/h9H,3-8H2,1-2H3
InChIKeyIJSNSLSSWHIYNP-UHFFFAOYSA-N
MW157.25 g/mol
LogP1.60
Rot. Bonds3

About N-methyl-N-propyloxan-4-amine

N-methyl-N-propyloxan-4-amine (PubChem CID 9898896) has the molecular formula C9H19NO and a molecular weight of 157.25 g/mol. Its IUPAC name is N-methyl-N-propyloxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-propyloxan-4-amine
PubChem CID9898896
Molecular FormulaC9H19NO
Molecular Weight157.25 g/mol
Exact Mass157.15
IUPAC NameN-methyl-N-propyloxan-4-amine
SMILESCCCN(C)C1CCOCC1
InChIInChI=1S/C9H19NO/c1-3-6-10(2)9-4-7-11-8-5-9/h9H,3-8H2,1-2H3
InChIKeyIJSNSLSSWHIYNP-UHFFFAOYSA-N
XLogP1.60
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity99

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.25
LogP ≤ 51.60
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-methyl-N-propyloxan-4-amine?
The IUPAC name of N-methyl-N-propyloxan-4-amine (CID 9898896) is N-methyl-N-propyloxan-4-amine.
What is the SMILES notation for N-methyl-N-propyloxan-4-amine?
The canonical SMILES for N-methyl-N-propyloxan-4-amine is CCCN(C)C1CCOCC1.
What is the InChIKey of N-methyl-N-propyloxan-4-amine?
The InChIKey is IJSNSLSSWHIYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-6-10(2)9-4-7-11-8-5-9/h9H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-propyloxan-4-amine?
N-methyl-N-propyloxan-4-amine has a molecular weight of 157.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyloxan-4-amine is sourced from PubChem (CID 9898896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).