N-propyl-4H-pyran-3-amine

C8H13NO — CID 90926963

IUPACN-propyl-4H-pyran-3-amine
SMILESCCCNC1=COC=CC1
InChIInChI=1S/C8H13NO/c1-2-5-9-8-4-3-6-10-7-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyKAQXMHUAEXKYEU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.76
Rot. Bonds3

About N-propyl-4H-pyran-3-amine

N-propyl-4H-pyran-3-amine (PubChem CID 90926963) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-propyl-4H-pyran-3-amine.

Molecular Properties

Compound NameN-propyl-4H-pyran-3-amine
PubChem CID90926963
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-propyl-4H-pyran-3-amine
SMILESCCCNC1=COC=CC1
InChIInChI=1S/C8H13NO/c1-2-5-9-8-4-3-6-10-7-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyKAQXMHUAEXKYEU-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4H-pyran-3-amine?
The IUPAC name of N-propyl-4H-pyran-3-amine (CID 90926963) is N-propyl-4H-pyran-3-amine.
What is the SMILES notation for N-propyl-4H-pyran-3-amine?
The canonical SMILES for N-propyl-4H-pyran-3-amine is CCCNC1=COC=CC1.
What is the InChIKey of N-propyl-4H-pyran-3-amine?
The InChIKey is KAQXMHUAEXKYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-5-9-8-4-3-6-10-7-8/h3,6-7,9H,2,4-5H2,1H3.
What are the key properties of N-propyl-4H-pyran-3-amine?
N-propyl-4H-pyran-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4H-pyran-3-amine is sourced from PubChem (CID 90926963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).