(1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine

C15H22N2 — CID 172789677

IUPAC(1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN[C@@H]1CCCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C15H22N2/c1-16-15-6-4-5-12-11-13(7-8-14(12)15)17-9-2-3-10-17/h7-8,11,15-16H,2-6,9-10H2,1H3/t15-/m1/s1
InChIKeyPJRVKGQOLWLEQG-OAHLLOKOSA-N
MW230.35 g/mol
LogP2.88
Rot. Bonds2

About (1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 172789677) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID172789677
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN[C@@H]1CCCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C15H22N2/c1-16-15-6-4-5-12-11-13(7-8-14(12)15)17-9-2-3-10-17/h7-8,11,15-16H,2-6,9-10H2,1H3/t15-/m1/s1
InChIKeyPJRVKGQOLWLEQG-OAHLLOKOSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 172789677) is (1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine is CN[C@@H]1CCCc2cc(N3CCCC3)ccc21.
What is the InChIKey of (1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PJRVKGQOLWLEQG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2/c1-16-15-6-4-5-12-11-13(7-8-14(12)15)17-9-2-3-10-17/h7-8,11,15-16H,2-6,9-10H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 172789677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).