4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine

C14H20N2 — CID 62807796

IUPAC4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(N2Cc3ccccc3C2)CC1
InChIInChI=1S/C14H20N2/c15-13-5-7-14(8-6-13)16-9-11-3-1-2-4-12(11)10-16/h1-4,13-14H,5-10,15H2
InChIKeyUIXXEPDVQNXOKD-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.27
Rot. Bonds1

About 4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine

4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine (PubChem CID 62807796) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine
PubChem CID62807796
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(N2Cc3ccccc3C2)CC1
InChIInChI=1S/C14H20N2/c15-13-5-7-14(8-6-13)16-9-11-3-1-2-4-12(11)10-16/h1-4,13-14H,5-10,15H2
InChIKeyUIXXEPDVQNXOKD-UHFFFAOYSA-N
XLogP2.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine (CID 62807796) is 4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine is NC1CCC(N2Cc3ccccc3C2)CC1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine?
The InChIKey is UIXXEPDVQNXOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-13-5-7-14(8-6-13)16-9-11-3-1-2-4-12(11)10-16/h1-4,13-14H,5-10,15H2.
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine?
4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 62807796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).