N-methyl-N-propyloxan-2-amine

C9H19NO — CID 91002672

IUPACN-methyl-N-propyloxan-2-amine
SMILESCCCN(C)C1CCCCO1
InChIInChI=1S/C9H19NO/c1-3-7-10(2)9-6-4-5-8-11-9/h9H,3-8H2,1-2H3
InChIKeyPGCDJPVHNWTVHN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.85
Rot. Bonds3

About N-methyl-N-propyloxan-2-amine

N-methyl-N-propyloxan-2-amine (PubChem CID 91002672) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methyl-N-propyloxan-2-amine.

Molecular Properties

Compound NameN-methyl-N-propyloxan-2-amine
PubChem CID91002672
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-methyl-N-propyloxan-2-amine
SMILESCCCN(C)C1CCCCO1
InChIInChI=1S/C9H19NO/c1-3-7-10(2)9-6-4-5-8-11-9/h9H,3-8H2,1-2H3
InChIKeyPGCDJPVHNWTVHN-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyloxan-2-amine?
The IUPAC name of N-methyl-N-propyloxan-2-amine (CID 91002672) is N-methyl-N-propyloxan-2-amine.
What is the SMILES notation for N-methyl-N-propyloxan-2-amine?
The canonical SMILES for N-methyl-N-propyloxan-2-amine is CCCN(C)C1CCCCO1.
What is the InChIKey of N-methyl-N-propyloxan-2-amine?
The InChIKey is PGCDJPVHNWTVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-7-10(2)9-6-4-5-8-11-9/h9H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-propyloxan-2-amine?
N-methyl-N-propyloxan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.85, 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-2-amine is sourced from PubChem (CID 91002672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).