guanidine;1,2,3,4-tetrahydroisoquinoline

C10H16N4 — CID 175250271

IUPACguanidine;1,2,3,4-tetrahydroisoquinoline
SMILES[H]N=C(N)N.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.CH5N3/c1-2-4-9-7-10-6-5-8(9)3-1;2-1(3)4/h1-4,10H,5-7H2;(H5,2,3,4)
InChIKeyVYRRWSGVCVSGDH-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.17
Rot. Bonds

About guanidine;1,2,3,4-tetrahydroisoquinoline

guanidine;1,2,3,4-tetrahydroisoquinoline (PubChem CID 175250271) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is guanidine;1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Nameguanidine;1,2,3,4-tetrahydroisoquinoline
PubChem CID175250271
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Nameguanidine;1,2,3,4-tetrahydroisoquinoline
SMILES[H]N=C(N)N.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.CH5N3/c1-2-4-9-7-10-6-5-8(9)3-1;2-1(3)4/h1-4,10H,5-7H2;(H5,2,3,4)
InChIKeyVYRRWSGVCVSGDH-UHFFFAOYSA-N
XLogP0.17
TPSA87.92 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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 guanidine;1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of guanidine;1,2,3,4-tetrahydroisoquinoline (CID 175250271) is guanidine;1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for guanidine;1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for guanidine;1,2,3,4-tetrahydroisoquinoline is [H]N=C(N)N.c1ccc2c(c1)CCNC2.
What is the InChIKey of guanidine;1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VYRRWSGVCVSGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.CH5N3/c1-2-4-9-7-10-6-5-8(9)3-1;2-1(3)4/h1-4,10H,5-7H2;(H5,2,3,4).
What are the key properties of guanidine;1,2,3,4-tetrahydroisoquinoline?
guanidine;1,2,3,4-tetrahydroisoquinoline has a molecular weight of 192.27 g/mol, XLogP of 0.17, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 175250271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).