[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine

C18H28N2 — CID 62704480

IUPAC[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(N2Cc3ccccc3C2)CC1
InChIInChI=1S/C18H28N2/c1-14(2)15-7-9-18(13-19,10-8-15)20-11-16-5-3-4-6-17(16)12-20/h3-6,14-15H,7-13,19H2,1-2H3
InChIKeyYCXXMENKLUWNML-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.55
Rot. Bonds3

About [1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine

[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 62704480) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID62704480
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(N2Cc3ccccc3C2)CC1
InChIInChI=1S/C18H28N2/c1-14(2)15-7-9-18(13-19,10-8-15)20-11-16-5-3-4-6-17(16)12-20/h3-6,14-15H,7-13,19H2,1-2H3
InChIKeyYCXXMENKLUWNML-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine (CID 62704480) is [1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(N2Cc3ccccc3C2)CC1.
What is the InChIKey of [1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is YCXXMENKLUWNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)15-7-9-18(13-19,10-8-15)20-11-16-5-3-4-6-17(16)12-20/h3-6,14-15H,7-13,19H2,1-2H3.
What are the key properties of [1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine?
[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 272.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 62704480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).