N-ethyl-4H-pyran-3-amine

C7H11NO — CID 91463832

IUPACN-ethyl-4H-pyran-3-amine
SMILESCCNC1=COC=CC1
InChIInChI=1S/C7H11NO/c1-2-8-7-4-3-5-9-6-7/h3,5-6,8H,2,4H2,1H3
InChIKeyFTIKYPXCCZLQOF-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.37
Rot. Bonds2

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

N-ethyl-4H-pyran-3-amine (PubChem CID 91463832) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-ethyl-4H-pyran-3-amine.

Molecular Properties

Compound NameN-ethyl-4H-pyran-3-amine
PubChem CID91463832
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-ethyl-4H-pyran-3-amine
SMILESCCNC1=COC=CC1
InChIInChI=1S/C7H11NO/c1-2-8-7-4-3-5-9-6-7/h3,5-6,8H,2,4H2,1H3
InChIKeyFTIKYPXCCZLQOF-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4H-1,4-oxazine
CID 68341597
N-propyl-4H-pyran-3-amine
CID 90926963
N-butyl-4H-pyran-3-amine
CID 91198593
N-methyl-4H-pyran-3-amine
CID 91456500
3-ethyl-5-methyl-4H-1,4-oxazine
CID 141139247
5-but-1-enoxy-2,3-dihydro-1H-pyrrole
CID 141242683
(E)-N-ethyl-4-methoxybut-3-en-1-amine
CID 142212519
ethane;3-methyl-4H-1,4-oxazine
CID 144036321
2-Methyl-4-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 153076464
2,4-Diethyl-2,3-dihydro-1,3-oxazole
CID 163543968
(Z)-1-methoxy-N-propylprop-1-en-2-amine
CID 163875562
(E)-N-ethyl-1-[(E)-prop-1-enoxy]prop-1-en-2-amine
CID 166807104

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4H-pyran-3-amine?
The IUPAC name of N-ethyl-4H-pyran-3-amine (CID 91463832) is N-ethyl-4H-pyran-3-amine.
What is the SMILES notation for N-ethyl-4H-pyran-3-amine?
The canonical SMILES for N-ethyl-4H-pyran-3-amine is CCNC1=COC=CC1.
What is the InChIKey of N-ethyl-4H-pyran-3-amine?
The InChIKey is FTIKYPXCCZLQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-8-7-4-3-5-9-6-7/h3,5-6,8H,2,4H2,1H3.
What are the key properties of N-ethyl-4H-pyran-3-amine?
N-ethyl-4H-pyran-3-amine has a molecular weight of 125.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4H-pyran-3-amine is sourced from PubChem (CID 91463832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).