N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine

C14H19NO — CID 81421466

IUPACN,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine
SMILESCNC1C2COc3ccccc3C2C1(C)C
InChIInChI=1S/C14H19NO/c1-14(2)12-9-6-4-5-7-11(9)16-8-10(12)13(14)15-3/h4-7,10,12-13,15H,8H2,1-3H3
InChIKeyBQUDKTVAMVKPSI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.41
Rot. Bonds1

About N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine

N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine (PubChem CID 81421466) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine.

Molecular Properties

Compound NameN,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine
PubChem CID81421466
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine
SMILESCNC1C2COc3ccccc3C2C1(C)C
InChIInChI=1S/C14H19NO/c1-14(2)12-9-6-4-5-7-11(9)16-8-10(12)13(14)15-3/h4-7,10,12-13,15H,8H2,1-3H3
InChIKeyBQUDKTVAMVKPSI-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine?
The IUPAC name of N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine (CID 81421466) is N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine.
What is the SMILES notation for N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine?
The canonical SMILES for N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine is CNC1C2COc3ccccc3C2C1(C)C.
What is the InChIKey of N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine?
The InChIKey is BQUDKTVAMVKPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2)12-9-6-4-5-7-11(9)16-8-10(12)13(14)15-3/h4-7,10,12-13,15H,8H2,1-3H3.
What are the key properties of N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine?
N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine has a molecular weight of 217.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine is sourced from PubChem (CID 81421466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).