(8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine

C15H23N3 — CID 129395359

IUPAC(8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN1CCN([C@@H]2CCCc3ccc(N)cc32)CC1
InChIInChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)15-4-2-3-12-5-6-13(16)11-14(12)15/h5-6,11,15H,2-4,7-10,16H2,1H3/t15-/m1/s1
InChIKeyKEJNMVNVPVRJHL-OAHLLOKOSA-N
MW245.37 g/mol
LogP1.89
Rot. Bonds1

About (8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine

(8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 129395359) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID129395359
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN1CCN([C@@H]2CCCc3ccc(N)cc32)CC1
InChIInChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)15-4-2-3-12-5-6-13(16)11-14(12)15/h5-6,11,15H,2-4,7-10,16H2,1H3/t15-/m1/s1
InChIKeyKEJNMVNVPVRJHL-OAHLLOKOSA-N
XLogP1.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of (8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine (CID 129395359) is (8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for (8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine is CN1CCN([C@@H]2CCCc3ccc(N)cc32)CC1.
What is the InChIKey of (8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is KEJNMVNVPVRJHL-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)15-4-2-3-12-5-6-13(16)11-14(12)15/h5-6,11,15H,2-4,7-10,16H2,1H3/t15-/m1/s1.
What are the key properties of (8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine?
(8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 245.37 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 129395359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).