N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide

C20H25N3 — CID 54008963

IUPACN,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILES[H]/N=C(/N(C)c1cccc(C)c1)N1Cc2cc(C)ccc2CC1C
InChIInChI=1S/C20H25N3/c1-14-6-5-7-19(11-14)22(4)20(21)23-13-18-10-15(2)8-9-17(18)12-16(23)3/h5-11,16,21H,12-13H2,1-4H3/b21-20-
InChIKeyKQXZJJFMLRPDKC-MRCUWXFGSA-N
MW307.44 g/mol
LogP4.12
Rot. Bonds1

About N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide

N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide (PubChem CID 54008963) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound NameN,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
PubChem CID54008963
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILES[H]/N=C(/N(C)c1cccc(C)c1)N1Cc2cc(C)ccc2CC1C
InChIInChI=1S/C20H25N3/c1-14-6-5-7-19(11-14)22(4)20(21)23-13-18-10-15(2)8-9-17(18)12-16(23)3/h5-11,16,21H,12-13H2,1-4H3/b21-20-
InChIKeyKQXZJJFMLRPDKC-MRCUWXFGSA-N
XLogP4.12
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide (CID 54008963) is N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide is [H]/N=C(/N(C)c1cccc(C)c1)N1Cc2cc(C)ccc2CC1C.
What is the InChIKey of N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is KQXZJJFMLRPDKC-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H25N3/c1-14-6-5-7-19(11-14)22(4)20(21)23-13-18-10-15(2)8-9-17(18)12-16(23)3/h5-11,16,21H,12-13H2,1-4H3/b21-20-.
What are the key properties of N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 307.44 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,7-trimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 54008963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).