N-methyl-2-propyloxan-2-amine

C9H19NO — CID 155375568

IUPACN-methyl-2-propyloxan-2-amine
SMILESCCCC1(NC)CCCCO1
InChIInChI=1S/C9H19NO/c1-3-6-9(10-2)7-4-5-8-11-9/h10H,3-8H2,1-2H3
InChIKeyPTAICUBKQIHYDA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.90
Rot. Bonds3

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

N-methyl-2-propyloxan-2-amine (PubChem CID 155375568) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methyl-2-propyloxan-2-amine.

Molecular Properties

Compound NameN-methyl-2-propyloxan-2-amine
PubChem CID155375568
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-methyl-2-propyloxan-2-amine
SMILESCCCC1(NC)CCCCO1
InChIInChI=1S/C9H19NO/c1-3-6-9(10-2)7-4-5-8-11-9/h10H,3-8H2,1-2H3
InChIKeyPTAICUBKQIHYDA-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propyloxan-2-amine?
The IUPAC name of N-methyl-2-propyloxan-2-amine (CID 155375568) is N-methyl-2-propyloxan-2-amine.
What is the SMILES notation for N-methyl-2-propyloxan-2-amine?
The canonical SMILES for N-methyl-2-propyloxan-2-amine is CCCC1(NC)CCCCO1.
What is the InChIKey of N-methyl-2-propyloxan-2-amine?
The InChIKey is PTAICUBKQIHYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-6-9(10-2)7-4-5-8-11-9/h10H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-propyloxan-2-amine?
N-methyl-2-propyloxan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propyloxan-2-amine is sourced from PubChem (CID 155375568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).