N-[(6-methylidenepyran-2-yl)methyl]ethanamine

C9H13NO — CID 129313632

IUPACN-[(6-methylidenepyran-2-yl)methyl]ethanamine
SMILESC=C1C=CC=C(CNCC)O1
InChIInChI=1S/C9H13NO/c1-3-10-7-9-6-4-5-8(2)11-9/h4-6,10H,2-3,7H2,1H3
InChIKeyDMJXGEIPQRTRTQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.58
Rot. Bonds3

About N-[(6-methylidenepyran-2-yl)methyl]ethanamine

N-[(6-methylidenepyran-2-yl)methyl]ethanamine (PubChem CID 129313632) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(6-methylidenepyran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methylidenepyran-2-yl)methyl]ethanamine
PubChem CID129313632
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(6-methylidenepyran-2-yl)methyl]ethanamine
SMILESC=C1C=CC=C(CNCC)O1
InChIInChI=1S/C9H13NO/c1-3-10-7-9-6-4-5-8(2)11-9/h4-6,10H,2-3,7H2,1H3
InChIKeyDMJXGEIPQRTRTQ-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylidenepyran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(6-methylidenepyran-2-yl)methyl]ethanamine (CID 129313632) is N-[(6-methylidenepyran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methylidenepyran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-methylidenepyran-2-yl)methyl]ethanamine is C=C1C=CC=C(CNCC)O1.
What is the InChIKey of N-[(6-methylidenepyran-2-yl)methyl]ethanamine?
The InChIKey is DMJXGEIPQRTRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-10-7-9-6-4-5-8(2)11-9/h4-6,10H,2-3,7H2,1H3.
What are the key properties of N-[(6-methylidenepyran-2-yl)methyl]ethanamine?
N-[(6-methylidenepyran-2-yl)methyl]ethanamine has a molecular weight of 151.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylidenepyran-2-yl)methyl]ethanamine is sourced from PubChem (CID 129313632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).