naphthalene-1,2,3,4-tetramine

C10H12N4 — CID 15937658

IUPACnaphthalene-1,2,3,4-tetramine
SMILESNc1c(N)c(N)c2ccccc2c1N
InChIInChI=1S/C10H12N4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H,11-14H2
InChIKeyMXNXGPHHIUHJRF-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.17
Rot. Bonds

About naphthalene-1,2,3,4-tetramine

naphthalene-1,2,3,4-tetramine (PubChem CID 15937658) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is naphthalene-1,2,3,4-tetramine.

Molecular Properties

Compound Namenaphthalene-1,2,3,4-tetramine
PubChem CID15937658
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Namenaphthalene-1,2,3,4-tetramine
SMILESNc1c(N)c(N)c2ccccc2c1N
InChIInChI=1S/C10H12N4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H,11-14H2
InChIKeyMXNXGPHHIUHJRF-UHFFFAOYSA-N
XLogP1.17
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2,3,4-tetramine?
The IUPAC name of naphthalene-1,2,3,4-tetramine (CID 15937658) is naphthalene-1,2,3,4-tetramine.
What is the SMILES notation for naphthalene-1,2,3,4-tetramine?
The canonical SMILES for naphthalene-1,2,3,4-tetramine is Nc1c(N)c(N)c2ccccc2c1N.
What is the InChIKey of naphthalene-1,2,3,4-tetramine?
The InChIKey is MXNXGPHHIUHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H,11-14H2.
What are the key properties of naphthalene-1,2,3,4-tetramine?
naphthalene-1,2,3,4-tetramine has a molecular weight of 188.23 g/mol, XLogP of 1.17, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2,3,4-tetramine is sourced from PubChem (CID 15937658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).