2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine

C17H26N2 — CID 55069267

IUPAC2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine
SMILESCCC(C1CCCCC1)N1Cc2ccc(N)cc2C1
InChIInChI=1S/C17H26N2/c1-2-17(13-6-4-3-5-7-13)19-11-14-8-9-16(18)10-15(14)12-19/h8-10,13,17H,2-7,11-12,18H2,1H3
InChIKeyBSTSRFGGPZNCHB-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.94
Rot. Bonds3

About 2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine

2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine (PubChem CID 55069267) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine
PubChem CID55069267
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine
SMILESCCC(C1CCCCC1)N1Cc2ccc(N)cc2C1
InChIInChI=1S/C17H26N2/c1-2-17(13-6-4-3-5-7-13)19-11-14-8-9-16(18)10-15(14)12-19/h8-10,13,17H,2-7,11-12,18H2,1H3
InChIKeyBSTSRFGGPZNCHB-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine (CID 55069267) is 2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine is CCC(C1CCCCC1)N1Cc2ccc(N)cc2C1.
What is the InChIKey of 2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is BSTSRFGGPZNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-17(13-6-4-3-5-7-13)19-11-14-8-9-16(18)10-15(14)12-19/h8-10,13,17H,2-7,11-12,18H2,1H3.
What are the key properties of 2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine?
2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 258.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 55069267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).