N-butyl-4H-pyran-3-amine

C9H15NO — CID 91198593

IUPACN-butyl-4H-pyran-3-amine
SMILESCCCCNC1=COC=CC1
InChIInChI=1S/C9H15NO/c1-2-3-6-10-9-5-4-7-11-8-9/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyBDEOHCWBBAXMQO-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.15
Rot. Bonds4

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

N-butyl-4H-pyran-3-amine (PubChem CID 91198593) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-butyl-4H-pyran-3-amine.

Molecular Properties

Compound NameN-butyl-4H-pyran-3-amine
PubChem CID91198593
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-butyl-4H-pyran-3-amine
SMILESCCCCNC1=COC=CC1
InChIInChI=1S/C9H15NO/c1-2-3-6-10-9-5-4-7-11-8-9/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyBDEOHCWBBAXMQO-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4H-pyran-3-amine?
The IUPAC name of N-butyl-4H-pyran-3-amine (CID 91198593) is N-butyl-4H-pyran-3-amine.
What is the SMILES notation for N-butyl-4H-pyran-3-amine?
The canonical SMILES for N-butyl-4H-pyran-3-amine is CCCCNC1=COC=CC1.
What is the InChIKey of N-butyl-4H-pyran-3-amine?
The InChIKey is BDEOHCWBBAXMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-6-10-9-5-4-7-11-8-9/h4,7-8,10H,2-3,5-6H2,1H3.
What are the key properties of N-butyl-4H-pyran-3-amine?
N-butyl-4H-pyran-3-amine has a molecular weight of 153.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4H-pyran-3-amine is sourced from PubChem (CID 91198593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).