4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine

C14H20N2 — CID 83261375

IUPAC4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine
SMILESNC1CCC(C2NCc3ccccc32)CC1
InChIInChI=1S/C14H20N2/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-14/h1-4,10,12,14,16H,5-9,15H2
InChIKeyVCIVSJZIEWQFPP-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.35
Rot. Bonds1

About 4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine

4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine (PubChem CID 83261375) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine
PubChem CID83261375
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine
SMILESNC1CCC(C2NCc3ccccc32)CC1
InChIInChI=1S/C14H20N2/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-14/h1-4,10,12,14,16H,5-9,15H2
InChIKeyVCIVSJZIEWQFPP-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine (CID 83261375) is 4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine is NC1CCC(C2NCc3ccccc32)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine?
The InChIKey is VCIVSJZIEWQFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-14/h1-4,10,12,14,16H,5-9,15H2.
What are the key properties of 4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine?
4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 83261375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).