4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine

C19H30N4 — CID 51052217

IUPAC4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine
SMILESCc1c(C)n(CCCN(C)C)c2nc3c(c(N)c12)CCCCC3
InChIInChI=1S/C19H30N4/c1-13-14(2)23(12-8-11-22(3)4)19-17(13)18(20)15-9-6-5-7-10-16(15)21-19/h5-12H2,1-4H3,(H2,20,21)
InChIKeySSVHBRHKXLMCQA-UHFFFAOYSA-N
MW314.48 g/mol
LogP3.46
Rot. Bonds4

About 4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine

4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine (PubChem CID 51052217) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine
PubChem CID51052217
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine
SMILESCc1c(C)n(CCCN(C)C)c2nc3c(c(N)c12)CCCCC3
InChIInChI=1S/C19H30N4/c1-13-14(2)23(12-8-11-22(3)4)19-17(13)18(20)15-9-6-5-7-10-16(15)21-19/h5-12H2,1-4H3,(H2,20,21)
InChIKeySSVHBRHKXLMCQA-UHFFFAOYSA-N
XLogP3.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine?
The IUPAC name of 4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine (CID 51052217) is 4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine is Cc1c(C)n(CCCN(C)C)c2nc3c(c(N)c12)CCCCC3.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine?
The InChIKey is SSVHBRHKXLMCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-13-14(2)23(12-8-11-22(3)4)19-17(13)18(20)15-9-6-5-7-10-16(15)21-19/h5-12H2,1-4H3,(H2,20,21).
What are the key properties of 4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine?
4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine has a molecular weight of 314.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-5,6-dimethyl-2,4-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine is sourced from PubChem (CID 51052217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).