(2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine

C19H24N2 — CID 82544746

IUPAC(2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine
SMILESNCC1c2ccc3ccccc3c2CN1C1CCCCC1
InChIInChI=1S/C19H24N2/c20-12-19-17-11-10-14-6-4-5-9-16(14)18(17)13-21(19)15-7-2-1-3-8-15/h4-6,9-11,15,19H,1-3,7-8,12-13,20H2
InChIKeyLLQAQFWKXCTRAS-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.99
Rot. Bonds2

About (2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine

(2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine (PubChem CID 82544746) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine.

Molecular Properties

Compound Name(2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine
PubChem CID82544746
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name(2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine
SMILESNCC1c2ccc3ccccc3c2CN1C1CCCCC1
InChIInChI=1S/C19H24N2/c20-12-19-17-11-10-14-6-4-5-9-16(14)18(17)13-21(19)15-7-2-1-3-8-15/h4-6,9-11,15,19H,1-3,7-8,12-13,20H2
InChIKeyLLQAQFWKXCTRAS-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine?
The IUPAC name of (2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine (CID 82544746) is (2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine.
What is the SMILES notation for (2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine?
The canonical SMILES for (2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine is NCC1c2ccc3ccccc3c2CN1C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine?
The InChIKey is LLQAQFWKXCTRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c20-12-19-17-11-10-14-6-4-5-9-16(14)18(17)13-21(19)15-7-2-1-3-8-15/h4-6,9-11,15,19H,1-3,7-8,12-13,20H2.
What are the key properties of (2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine?
(2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine has a molecular weight of 280.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine is sourced from PubChem (CID 82544746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).