4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile

C15H23N3 — CID 115150326

IUPAC4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile
SMILESCC(C)(CNC1CCC(C#N)CC1)c1cc[nH]c1
InChIInChI=1S/C15H23N3/c1-15(2,13-7-8-17-10-13)11-18-14-5-3-12(9-16)4-6-14/h7-8,10,12,14,17-18H,3-6,11H2,1-2H3
InChIKeyRPFPEDNHMIEEIS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.96
Rot. Bonds4

About 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile

4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile (PubChem CID 115150326) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile
PubChem CID115150326
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile
SMILESCC(C)(CNC1CCC(C#N)CC1)c1cc[nH]c1
InChIInChI=1S/C15H23N3/c1-15(2,13-7-8-17-10-13)11-18-14-5-3-12(9-16)4-6-14/h7-8,10,12,14,17-18H,3-6,11H2,1-2H3
InChIKeyRPFPEDNHMIEEIS-UHFFFAOYSA-N
XLogP2.96
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-pyrrol-3-yl)propan-2-amine
CID 13437356
(Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enenitrile
CID 11506618
3-tert-butyl-1H-pyrrole
CID 11029829
3-n-Octylpyrrole
CID 14510078
3-isopropyl-1H-pyrrole
CID 13165124
1-Methyl-2-(1-pentyl-1H-pyrrol-3-yl)-ethylamine
CID 14739643
(Z)-2-(2-Methyl-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile
CID 11564718
1H-Pyrrole, 3-propyl-
CID 137076
3-Heptylpyrrole
CID 258374
2-(1H-pyrrol-3-yl)acetonitrile
CID 23138077
1-(1H-pyrrol-3-yl)ethan-1-amine
CID 58629066
(Z)-2-(4-tert-butylphenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
CID 11543340

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile (CID 115150326) is 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile is CC(C)(CNC1CCC(C#N)CC1)c1cc[nH]c1.
What is the InChIKey of 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile?
The InChIKey is RPFPEDNHMIEEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2,13-7-8-17-10-13)11-18-14-5-3-12(9-16)4-6-14/h7-8,10,12,14,17-18H,3-6,11H2,1-2H3.
What are the key properties of 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile?
4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile has a molecular weight of 245.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 115150326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).