N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine

C21H25N3 — CID 57475082

IUPACN,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C21H25N3/c1-24(2)21(17-7-4-3-5-8-17)12-10-16(11-13-21)19-15-23-20-18(19)9-6-14-22-20/h3-9,14-16H,10-13H2,1-2H3,(H,22,23)
InChIKeyMMLXKGFXFPSCOR-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.68
Rot. Bonds3

About N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine

N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine (PubChem CID 57475082) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine
PubChem CID57475082
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C21H25N3/c1-24(2)21(17-7-4-3-5-8-17)12-10-16(11-13-21)19-15-23-20-18(19)9-6-14-22-20/h3-9,14-16H,10-13H2,1-2H3,(H,22,23)
InChIKeyMMLXKGFXFPSCOR-UHFFFAOYSA-N
XLogP4.68
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine (CID 57475082) is N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine is CN(C)C1(c2ccccc2)CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine?
The InChIKey is MMLXKGFXFPSCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-24(2)21(17-7-4-3-5-8-17)12-10-16(11-13-21)19-15-23-20-18(19)9-6-14-22-20/h3-9,14-16H,10-13H2,1-2H3,(H,22,23).
What are the key properties of N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine?
N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine has a molecular weight of 319.45 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 57475082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).