N-methyl-10b,10c-dihydropyren-1-amine

C17H15N — CID 170014525

IUPACN-methyl-10b,10c-dihydropyren-1-amine
SMILESCNC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2C34
InChIInChI=1S/C17H15N/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10,16-18H,1H3
InChIKeyITQGDQUUWYTKBC-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.19
Rot. Bonds1

About N-methyl-10b,10c-dihydropyren-1-amine

N-methyl-10b,10c-dihydropyren-1-amine (PubChem CID 170014525) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is N-methyl-10b,10c-dihydropyren-1-amine.

Molecular Properties

Compound NameN-methyl-10b,10c-dihydropyren-1-amine
PubChem CID170014525
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC NameN-methyl-10b,10c-dihydropyren-1-amine
SMILESCNC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2C34
InChIInChI=1S/C17H15N/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10,16-18H,1H3
InChIKeyITQGDQUUWYTKBC-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-10b,10c-dihydropyren-1-amine?
The IUPAC name of N-methyl-10b,10c-dihydropyren-1-amine (CID 170014525) is N-methyl-10b,10c-dihydropyren-1-amine.
What is the SMILES notation for N-methyl-10b,10c-dihydropyren-1-amine?
The canonical SMILES for N-methyl-10b,10c-dihydropyren-1-amine is CNC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2C34.
What is the InChIKey of N-methyl-10b,10c-dihydropyren-1-amine?
The InChIKey is ITQGDQUUWYTKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10,16-18H,1H3.
What are the key properties of N-methyl-10b,10c-dihydropyren-1-amine?
N-methyl-10b,10c-dihydropyren-1-amine has a molecular weight of 233.31 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-10b,10c-dihydropyren-1-amine is sourced from PubChem (CID 170014525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).