(1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine

C11H15IN2 — CID 130692932

IUPAC(1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine
SMILESCc1cc(I)c2c(c1N)CCC[C@H]2N
InChIInChI=1S/C11H15IN2/c1-6-5-8(12)10-7(11(6)14)3-2-4-9(10)13/h5,9H,2-4,13-14H2,1H3/t9-/m1/s1
InChIKeyQUBVDPJWBBIREL-SECBINFHSA-N
MW302.16 g/mol
LogP2.52
Rot. Bonds

About (1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine

(1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine (PubChem CID 130692932) has the molecular formula C11H15IN2 and a molecular weight of 302.16 g/mol. Its IUPAC name is (1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine.

Molecular Properties

Compound Name(1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine
PubChem CID130692932
Molecular FormulaC11H15IN2
Molecular Weight302.16 g/mol
Exact Mass302.03
IUPAC Name(1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine
SMILESCc1cc(I)c2c(c1N)CCC[C@H]2N
InChIInChI=1S/C11H15IN2/c1-6-5-8(12)10-7(11(6)14)3-2-4-9(10)13/h5,9H,2-4,13-14H2,1H3/t9-/m1/s1
InChIKeyQUBVDPJWBBIREL-SECBINFHSA-N
XLogP2.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
The IUPAC name of (1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine (CID 130692932) is (1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine.
What is the SMILES notation for (1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
The canonical SMILES for (1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine is Cc1cc(I)c2c(c1N)CCC[C@H]2N.
What is the InChIKey of (1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
The InChIKey is QUBVDPJWBBIREL-SECBINFHSA-N. The full InChI is InChI=1S/C11H15IN2/c1-6-5-8(12)10-7(11(6)14)3-2-4-9(10)13/h5,9H,2-4,13-14H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine?
(1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine has a molecular weight of 302.16 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine is sourced from PubChem (CID 130692932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).