N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine

C18H28N2 — CID 103998380

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
SMILESCN(Cc1ccc2c(c1)CNC2)C1CCC(C)(C)CC1
InChIInChI=1S/C18H28N2/c1-18(2)8-6-17(7-9-18)20(3)13-14-4-5-15-11-19-12-16(15)10-14/h4-5,10,17,19H,6-9,11-13H2,1-3H3
InChIKeyPVDMWGHRQOLIJH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.69
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 103998380) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
PubChem CID103998380
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
SMILESCN(Cc1ccc2c(c1)CNC2)C1CCC(C)(C)CC1
InChIInChI=1S/C18H28N2/c1-18(2)8-6-17(7-9-18)20(3)13-14-4-5-15-11-19-12-16(15)10-14/h4-5,10,17,19H,6-9,11-13H2,1-3H3
InChIKeyPVDMWGHRQOLIJH-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine (CID 103998380) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine is CN(Cc1ccc2c(c1)CNC2)C1CCC(C)(C)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is PVDMWGHRQOLIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2)8-6-17(7-9-18)20(3)13-14-4-5-15-11-19-12-16(15)10-14/h4-5,10,17,19H,6-9,11-13H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 103998380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).