N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine

C15H19N3 — CID 63048493

IUPACN-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine
SMILESCC(C)Nc1n[nH]c2c1CCCc1ccccc1-2
InChIInChI=1S/C15H19N3/c1-10(2)16-15-13-9-5-7-11-6-3-4-8-12(11)14(13)17-18-15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H2,16,17,18)
InChIKeyGXZYCTXITYTMBH-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.39
Rot. Bonds2

About N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine

N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine (PubChem CID 63048493) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine
PubChem CID63048493
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine
SMILESCC(C)Nc1n[nH]c2c1CCCc1ccccc1-2
InChIInChI=1S/C15H19N3/c1-10(2)16-15-13-9-5-7-11-6-3-4-8-12(11)14(13)17-18-15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H2,16,17,18)
InChIKeyGXZYCTXITYTMBH-UHFFFAOYSA-N
XLogP3.39
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine?
The IUPAC name of N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine (CID 63048493) is N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine.
What is the SMILES notation for N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine?
The canonical SMILES for N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine is CC(C)Nc1n[nH]c2c1CCCc1ccccc1-2.
What is the InChIKey of N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine?
The InChIKey is GXZYCTXITYTMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10(2)16-15-13-9-5-7-11-6-3-4-8-12(11)14(13)17-18-15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H2,16,17,18).
What are the key properties of N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine?
N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine has a molecular weight of 241.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-amine is sourced from PubChem (CID 63048493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).