3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine

C15H23N3 — CID 123383915

IUPAC3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine
SMILESCc1cccc2c1C(C(C)C)C(N(C)C)=NC2N
InChIInChI=1S/C15H23N3/c1-9(2)12-13-10(3)7-6-8-11(13)14(16)17-15(12)18(4)5/h6-9,12,14H,16H2,1-5H3
InChIKeyGJXNIGBYTHCMCW-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.67
Rot. Bonds1

About 3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine

3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine (PubChem CID 123383915) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine
PubChem CID123383915
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine
SMILESCc1cccc2c1C(C(C)C)C(N(C)C)=NC2N
InChIInChI=1S/C15H23N3/c1-9(2)12-13-10(3)7-6-8-11(13)14(16)17-15(12)18(4)5/h6-9,12,14H,16H2,1-5H3
InChIKeyGJXNIGBYTHCMCW-UHFFFAOYSA-N
XLogP2.67
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
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1,9-dimethyl-9H-fluorene
CID 28227
2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
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9-ethyl-1-methyl-9H-fluorene
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9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene
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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine?
The IUPAC name of 3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine (CID 123383915) is 3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine.
What is the SMILES notation for 3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine?
The canonical SMILES for 3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine is Cc1cccc2c1C(C(C)C)C(N(C)C)=NC2N.
What is the InChIKey of 3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine?
The InChIKey is GJXNIGBYTHCMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-9(2)12-13-10(3)7-6-8-11(13)14(16)17-15(12)18(4)5/h6-9,12,14H,16H2,1-5H3.
What are the key properties of 3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine?
3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,5-trimethyl-4-propan-2-yl-1,4-dihydroisoquinoline-1,3-diamine is sourced from PubChem (CID 123383915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).