(2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine

C25H37N3 — CID 141159043

IUPAC(2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine
SMILESC[C@@H](CC1CCCCC1)NCc1ccccc1N1CC=CC=C1N1CCCC1
InChIInChI=1S/C25H37N3/c1-21(19-22-11-3-2-4-12-22)26-20-23-13-5-6-14-24(23)28-18-8-7-15-25(28)27-16-9-10-17-27/h5-8,13-15,21-22,26H,2-4,9-12,16-20H2,1H3/t21-/m0/s1
InChIKeyIZJUPCHSXNOGSE-NRFANRHFSA-N
MW379.59 g/mol
LogP5.45
Rot. Bonds7

About (2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine

(2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 141159043) has the molecular formula C25H37N3 and a molecular weight of 379.59 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID141159043
Molecular FormulaC25H37N3
Molecular Weight379.59 g/mol
Exact Mass379.30
IUPAC Name(2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine
SMILESC[C@@H](CC1CCCCC1)NCc1ccccc1N1CC=CC=C1N1CCCC1
InChIInChI=1S/C25H37N3/c1-21(19-22-11-3-2-4-12-22)26-20-23-13-5-6-14-24(23)28-18-8-7-15-25(28)27-16-9-10-17-27/h5-8,13-15,21-22,26H,2-4,9-12,16-20H2,1H3/t21-/m0/s1
InChIKeyIZJUPCHSXNOGSE-NRFANRHFSA-N
XLogP5.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of (2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine (CID 141159043) is (2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for (2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine is C[C@@H](CC1CCCCC1)NCc1ccccc1N1CC=CC=C1N1CCCC1.
What is the InChIKey of (2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is IZJUPCHSXNOGSE-NRFANRHFSA-N. The full InChI is InChI=1S/C25H37N3/c1-21(19-22-11-3-2-4-12-22)26-20-23-13-5-6-14-24(23)28-18-8-7-15-25(28)27-16-9-10-17-27/h5-8,13-15,21-22,26H,2-4,9-12,16-20H2,1H3/t21-/m0/s1.
What are the key properties of (2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine?
(2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 379.59 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-N-[[2-(6-pyrrolidin-1-yl-2H-pyridin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 141159043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).