N,4,4-trimethyl-2,3-dihydrochromen-8-amine

C12H17NO — CID 170191308

IUPACN,4,4-trimethyl-2,3-dihydrochromen-8-amine
SMILESCNc1cccc2c1OCCC2(C)C
InChIInChI=1S/C12H17NO/c1-12(2)7-8-14-11-9(12)5-4-6-10(11)13-3/h4-6,13H,7-8H2,1-3H3
InChIKeyGJAMMYUOQVKVPO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.79
Rot. Bonds1

About N,4,4-trimethyl-2,3-dihydrochromen-8-amine

N,4,4-trimethyl-2,3-dihydrochromen-8-amine (PubChem CID 170191308) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N,4,4-trimethyl-2,3-dihydrochromen-8-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-2,3-dihydrochromen-8-amine
PubChem CID170191308
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN,4,4-trimethyl-2,3-dihydrochromen-8-amine
SMILESCNc1cccc2c1OCCC2(C)C
InChIInChI=1S/C12H17NO/c1-12(2)7-8-14-11-9(12)5-4-6-10(11)13-3/h4-6,13H,7-8H2,1-3H3
InChIKeyGJAMMYUOQVKVPO-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-2,3-dihydrochromen-8-amine?
The IUPAC name of N,4,4-trimethyl-2,3-dihydrochromen-8-amine (CID 170191308) is N,4,4-trimethyl-2,3-dihydrochromen-8-amine.
What is the SMILES notation for N,4,4-trimethyl-2,3-dihydrochromen-8-amine?
The canonical SMILES for N,4,4-trimethyl-2,3-dihydrochromen-8-amine is CNc1cccc2c1OCCC2(C)C.
What is the InChIKey of N,4,4-trimethyl-2,3-dihydrochromen-8-amine?
The InChIKey is GJAMMYUOQVKVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2)7-8-14-11-9(12)5-4-6-10(11)13-3/h4-6,13H,7-8H2,1-3H3.
What are the key properties of N,4,4-trimethyl-2,3-dihydrochromen-8-amine?
N,4,4-trimethyl-2,3-dihydrochromen-8-amine has a molecular weight of 191.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-2,3-dihydrochromen-8-amine is sourced from PubChem (CID 170191308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).