N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine

C13H20N6 — CID 12666099

IUPACN,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine
SMILESCc1nc2ncnn2c2c1CCN2CCCN(C)C
InChIInChI=1S/C13H20N6/c1-10-11-5-8-18(7-4-6-17(2)3)12(11)19-13(16-10)14-9-15-19/h9H,4-8H2,1-3H3
InChIKeyILPPLSMKJKTAIM-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.75
Rot. Bonds4

About N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine

N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine (PubChem CID 12666099) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine
PubChem CID12666099
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine
SMILESCc1nc2ncnn2c2c1CCN2CCCN(C)C
InChIInChI=1S/C13H20N6/c1-10-11-5-8-18(7-4-6-17(2)3)12(11)19-13(16-10)14-9-15-19/h9H,4-8H2,1-3H3
InChIKeyILPPLSMKJKTAIM-UHFFFAOYSA-N
XLogP0.75
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine (CID 12666099) is N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine is Cc1nc2ncnn2c2c1CCN2CCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine?
The InChIKey is ILPPLSMKJKTAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10-11-5-8-18(7-4-6-17(2)3)12(11)19-13(16-10)14-9-15-19/h9H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine?
N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-amine is sourced from PubChem (CID 12666099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).