(4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine

C15H25N3 — CID 9170136

IUPAC(4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine
SMILESCCN(CC)[C@H]1CNCc2cc(N(C)C)ccc21
InChIInChI=1S/C15H25N3/c1-5-18(6-2)15-11-16-10-12-9-13(17(3)4)7-8-14(12)15/h7-9,15-16H,5-6,10-11H2,1-4H3/t15-/m0/s1
InChIKeyKBVCQAHWVJJWAN-HNNXBMFYSA-N
MW247.39 g/mol
LogP2.24
Rot. Bonds4

About (4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine

(4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine (PubChem CID 9170136) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine.

Molecular Properties

Compound Name(4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine
PubChem CID9170136
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine
SMILESCCN(CC)[C@H]1CNCc2cc(N(C)C)ccc21
InChIInChI=1S/C15H25N3/c1-5-18(6-2)15-11-16-10-12-9-13(17(3)4)7-8-14(12)15/h7-9,15-16H,5-6,10-11H2,1-4H3/t15-/m0/s1
InChIKeyKBVCQAHWVJJWAN-HNNXBMFYSA-N
XLogP2.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine?
The IUPAC name of (4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine (CID 9170136) is (4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine.
What is the SMILES notation for (4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine?
The canonical SMILES for (4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine is CCN(CC)[C@H]1CNCc2cc(N(C)C)ccc21.
What is the InChIKey of (4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine?
The InChIKey is KBVCQAHWVJJWAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-18(6-2)15-11-16-10-12-9-13(17(3)4)7-8-14(12)15/h7-9,15-16H,5-6,10-11H2,1-4H3/t15-/m0/s1.
What are the key properties of (4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine?
(4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine is sourced from PubChem (CID 9170136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).