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

C10H17NO — CID 90969160

IUPACN-butyl-N-methyl-4H-pyran-3-amine
SMILESCCCCN(C)C1=COC=CC1
InChIInChI=1S/C10H17NO/c1-3-4-7-11(2)10-6-5-8-12-9-10/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyNNERUOOYWUSLGO-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.49
Rot. Bonds4

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

N-butyl-N-methyl-4H-pyran-3-amine (PubChem CID 90969160) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-butyl-N-methyl-4H-pyran-3-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-4H-pyran-3-amine
PubChem CID90969160
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-butyl-N-methyl-4H-pyran-3-amine
SMILESCCCCN(C)C1=COC=CC1
InChIInChI=1S/C10H17NO/c1-3-4-7-11(2)10-6-5-8-12-9-10/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyNNERUOOYWUSLGO-UHFFFAOYSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-propyl-4H-pyran-3-amine
CID 90731450
N,N-dibutyl-4H-pyran-3-amine
CID 90874119
N-ethyl-N-propyl-4H-pyran-3-amine
CID 90924076
N,N-diethyl-4H-pyran-3-amine
CID 91013463
N-butyl-N-ethyl-4H-pyran-3-amine
CID 91195954
N-butyl-4H-pyran-3-amine
CID 91198593
N,N-dimethyl-4H-pyran-3-amine
CID 91224082
N-methyl-N-propyl-4H-pyran-3-amine
CID 91371893
N-ethyl-N-methyl-4H-pyran-3-amine
CID 91417267
N,N-dipropyl-4H-pyran-3-amine
CID 91583541
(4E)-N-ethyl-5-methoxy-N-methylpenta-1,4-dien-2-amine
CID 117753532
3,4-Ditert-butyl-1,4-oxazine
CID 117956590

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4H-pyran-3-amine?
The IUPAC name of N-butyl-N-methyl-4H-pyran-3-amine (CID 90969160) is N-butyl-N-methyl-4H-pyran-3-amine.
What is the SMILES notation for N-butyl-N-methyl-4H-pyran-3-amine?
The canonical SMILES for N-butyl-N-methyl-4H-pyran-3-amine is CCCCN(C)C1=COC=CC1.
What is the InChIKey of N-butyl-N-methyl-4H-pyran-3-amine?
The InChIKey is NNERUOOYWUSLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-7-11(2)10-6-5-8-12-9-10/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of N-butyl-N-methyl-4H-pyran-3-amine?
N-butyl-N-methyl-4H-pyran-3-amine has a molecular weight of 167.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4H-pyran-3-amine is sourced from PubChem (CID 90969160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).