6-propan-2-yl-2H-pyran-3-amine

C8H13NO — CID 118680547

IUPAC6-propan-2-yl-2H-pyran-3-amine
SMILESCC(C)C1=CC=C(N)CO1
InChIInChI=1S/C8H13NO/c1-6(2)8-4-3-7(9)5-10-8/h3-4,6H,5,9H2,1-2H3
InChIKeyDUTJFZQAQXMDLU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.40
Rot. Bonds1

About 6-propan-2-yl-2H-pyran-3-amine

6-propan-2-yl-2H-pyran-3-amine (PubChem CID 118680547) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-propan-2-yl-2H-pyran-3-amine.

Molecular Properties

Compound Name6-propan-2-yl-2H-pyran-3-amine
PubChem CID118680547
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-propan-2-yl-2H-pyran-3-amine
SMILESCC(C)C1=CC=C(N)CO1
InChIInChI=1S/C8H13NO/c1-6(2)8-4-3-7(9)5-10-8/h3-4,6H,5,9H2,1-2H3
InChIKeyDUTJFZQAQXMDLU-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethylpyran-4-amine
CID 68748502
5-methyl-2H-pyran-3-amine
CID 70386428
6-Prop-1-en-2-yloxycyclohexa-1,3-dien-1-amine
CID 89088797
3-Prop-2-enoxycyclohexa-1,3-dien-1-amine
CID 89362525
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
CID 90137721
2-methyl-2H-pyran-3-amine
CID 117900865
(2E,4Z,6Z)-5-ethoxy-4-[(E)-prop-1-enyl]octa-2,4,6-trien-2-amine
CID 126711921
(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine
CID 126735355
ethane;(2E,4E)-3-methyl-4-propoxyhepta-2,4,6-trien-2-amine
CID 141915048
6-Ethoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 142143173
ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine
CID 143256813
(1Z,4Z)-1-[(2E,4Z)-2-aminohexa-2,4-dienoxy]hexa-1,4-dien-2-amine
CID 144352996

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2H-pyran-3-amine?
The IUPAC name of 6-propan-2-yl-2H-pyran-3-amine (CID 118680547) is 6-propan-2-yl-2H-pyran-3-amine.
What is the SMILES notation for 6-propan-2-yl-2H-pyran-3-amine?
The canonical SMILES for 6-propan-2-yl-2H-pyran-3-amine is CC(C)C1=CC=C(N)CO1.
What is the InChIKey of 6-propan-2-yl-2H-pyran-3-amine?
The InChIKey is DUTJFZQAQXMDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)8-4-3-7(9)5-10-8/h3-4,6H,5,9H2,1-2H3.
What are the key properties of 6-propan-2-yl-2H-pyran-3-amine?
6-propan-2-yl-2H-pyran-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2H-pyran-3-amine is sourced from PubChem (CID 118680547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).