3,4,7,8-tetrahydro-2H-chromen-6-amine

C9H13NO — CID 160651778

IUPAC3,4,7,8-tetrahydro-2H-chromen-6-amine
SMILESNC1=CC2=C(CC1)OCCC2
InChIInChI=1S/C9H13NO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h6H,1-5,10H2
InChIKeyRKNCYMGOPJEQTM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.69
Rot. Bonds

About 3,4,7,8-tetrahydro-2H-chromen-6-amine

3,4,7,8-tetrahydro-2H-chromen-6-amine (PubChem CID 160651778) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3,4,7,8-tetrahydro-2H-chromen-6-amine.

Molecular Properties

Compound Name3,4,7,8-tetrahydro-2H-chromen-6-amine
PubChem CID160651778
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3,4,7,8-tetrahydro-2H-chromen-6-amine
SMILESNC1=CC2=C(CC1)OCCC2
InChIInChI=1S/C9H13NO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h6H,1-5,10H2
InChIKeyRKNCYMGOPJEQTM-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,7,8-tetrahydro-2H-chromen-6-amine?
The IUPAC name of 3,4,7,8-tetrahydro-2H-chromen-6-amine (CID 160651778) is 3,4,7,8-tetrahydro-2H-chromen-6-amine.
What is the SMILES notation for 3,4,7,8-tetrahydro-2H-chromen-6-amine?
The canonical SMILES for 3,4,7,8-tetrahydro-2H-chromen-6-amine is NC1=CC2=C(CC1)OCCC2.
What is the InChIKey of 3,4,7,8-tetrahydro-2H-chromen-6-amine?
The InChIKey is RKNCYMGOPJEQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h6H,1-5,10H2.
What are the key properties of 3,4,7,8-tetrahydro-2H-chromen-6-amine?
3,4,7,8-tetrahydro-2H-chromen-6-amine has a molecular weight of 151.21 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,8-tetrahydro-2H-chromen-6-amine is sourced from PubChem (CID 160651778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).