(3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine

C24H37N3 — CID 174879610

IUPAC(3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine
SMILESCCCCCN[C@@H]1CCN(CC(C)C)C1.c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C13H28N2.C11H9N/c1-4-5-6-8-14-13-7-9-15(11-13)10-12(2)3;1-2-5-10(6-3-1)11-7-4-8-12-9-11/h12-14H,4-11H2,1-3H3;1-9H/t13-;/m1./s1
InChIKeyNYBQMJUOBZQYOS-BTQNPOSSSA-N
MW367.58 g/mol
LogP5.25
Rot. Bonds8

About (3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine

(3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine (PubChem CID 174879610) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is (3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine.

Molecular Properties

Compound Name(3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine
PubChem CID174879610
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC Name(3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine
SMILESCCCCCN[C@@H]1CCN(CC(C)C)C1.c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C13H28N2.C11H9N/c1-4-5-6-8-14-13-7-9-15(11-13)10-12(2)3;1-2-5-10(6-3-1)11-7-4-8-12-9-11/h12-14H,4-11H2,1-3H3;1-9H/t13-;/m1./s1
InChIKeyNYBQMJUOBZQYOS-BTQNPOSSSA-N
XLogP5.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine?
The IUPAC name of (3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine (CID 174879610) is (3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine.
What is the SMILES notation for (3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine?
The canonical SMILES for (3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine is CCCCCN[C@@H]1CCN(CC(C)C)C1.c1ccc(-c2cccnc2)cc1.
What is the InChIKey of (3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine?
The InChIKey is NYBQMJUOBZQYOS-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H28N2.C11H9N/c1-4-5-6-8-14-13-7-9-15(11-13)10-12(2)3;1-2-5-10(6-3-1)11-7-4-8-12-9-11/h12-14H,4-11H2,1-3H3;1-9H/t13-;/m1./s1.
What are the key properties of (3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine?
(3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine has a molecular weight of 367.58 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpropyl)-N-pentylpyrrolidin-3-amine;3-phenylpyridine is sourced from PubChem (CID 174879610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).