N,N-dimethyl-3-methylidene-4H-pyran-2-amine

C8H13NO — CID 13159324

IUPACN,N-dimethyl-3-methylidene-4H-pyran-2-amine
SMILESC=C1CC=COC1N(C)C
InChIInChI=1S/C8H13NO/c1-7-5-4-6-10-8(7)9(2)3/h4,6,8H,1,5H2,2-3H3
InChIKeyICJVZJJTXHZRBC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.36
Rot. Bonds1

About N,N-dimethyl-3-methylidene-4H-pyran-2-amine

N,N-dimethyl-3-methylidene-4H-pyran-2-amine (PubChem CID 13159324) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N,N-dimethyl-3-methylidene-4H-pyran-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-methylidene-4H-pyran-2-amine
PubChem CID13159324
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN,N-dimethyl-3-methylidene-4H-pyran-2-amine
SMILESC=C1CC=COC1N(C)C
InChIInChI=1S/C8H13NO/c1-7-5-4-6-10-8(7)9(2)3/h4,6,8H,1,5H2,2-3H3
InChIKeyICJVZJJTXHZRBC-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-methylidene-4H-pyran-2-amine?
The IUPAC name of N,N-dimethyl-3-methylidene-4H-pyran-2-amine (CID 13159324) is N,N-dimethyl-3-methylidene-4H-pyran-2-amine.
What is the SMILES notation for N,N-dimethyl-3-methylidene-4H-pyran-2-amine?
The canonical SMILES for N,N-dimethyl-3-methylidene-4H-pyran-2-amine is C=C1CC=COC1N(C)C.
What is the InChIKey of N,N-dimethyl-3-methylidene-4H-pyran-2-amine?
The InChIKey is ICJVZJJTXHZRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-5-4-6-10-8(7)9(2)3/h4,6,8H,1,5H2,2-3H3.
What are the key properties of N,N-dimethyl-3-methylidene-4H-pyran-2-amine?
N,N-dimethyl-3-methylidene-4H-pyran-2-amine has a molecular weight of 139.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-methylidene-4H-pyran-2-amine is sourced from PubChem (CID 13159324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).