(4-propan-2-yl-4H-pyran-2-yl)methanamine

C9H15NO — CID 142856811

IUPAC(4-propan-2-yl-4H-pyran-2-yl)methanamine
SMILESCC(C)C1C=COC(CN)=C1
InChIInChI=1S/C9H15NO/c1-7(2)8-3-4-11-9(5-8)6-10/h3-5,7-8H,6,10H2,1-2H3
InChIKeyXSEGOTXUIPGRTL-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.65
Rot. Bonds2

About (4-propan-2-yl-4H-pyran-2-yl)methanamine

(4-propan-2-yl-4H-pyran-2-yl)methanamine (PubChem CID 142856811) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (4-propan-2-yl-4H-pyran-2-yl)methanamine.

Molecular Properties

Compound Name(4-propan-2-yl-4H-pyran-2-yl)methanamine
PubChem CID142856811
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(4-propan-2-yl-4H-pyran-2-yl)methanamine
SMILESCC(C)C1C=COC(CN)=C1
InChIInChI=1S/C9H15NO/c1-7(2)8-3-4-11-9(5-8)6-10/h3-5,7-8H,6,10H2,1-2H3
InChIKeyXSEGOTXUIPGRTL-UHFFFAOYSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-4H-pyran-2-yl)methanamine?
The IUPAC name of (4-propan-2-yl-4H-pyran-2-yl)methanamine (CID 142856811) is (4-propan-2-yl-4H-pyran-2-yl)methanamine.
What is the SMILES notation for (4-propan-2-yl-4H-pyran-2-yl)methanamine?
The canonical SMILES for (4-propan-2-yl-4H-pyran-2-yl)methanamine is CC(C)C1C=COC(CN)=C1.
What is the InChIKey of (4-propan-2-yl-4H-pyran-2-yl)methanamine?
The InChIKey is XSEGOTXUIPGRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)8-3-4-11-9(5-8)6-10/h3-5,7-8H,6,10H2,1-2H3.
What are the key properties of (4-propan-2-yl-4H-pyran-2-yl)methanamine?
(4-propan-2-yl-4H-pyran-2-yl)methanamine has a molecular weight of 153.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-4H-pyran-2-yl)methanamine is sourced from PubChem (CID 142856811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).