4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine

C19H30N2 — CID 62611169

IUPAC4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(CN2Cc3ccccc3C2)C1
InChIInChI=1S/C19H30N2/c1-19(2,3)17-8-9-18(20)16(10-17)13-21-11-14-6-4-5-7-15(14)12-21/h4-7,16-18H,8-13,20H2,1-3H3
InChIKeyBSGCRKULJXBODD-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.79
Rot. Bonds2

About 4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine

4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine (PubChem CID 62611169) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine
PubChem CID62611169
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(CN2Cc3ccccc3C2)C1
InChIInChI=1S/C19H30N2/c1-19(2,3)17-8-9-18(20)16(10-17)13-21-11-14-6-4-5-7-15(14)12-21/h4-7,16-18H,8-13,20H2,1-3H3
InChIKeyBSGCRKULJXBODD-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine (CID 62611169) is 4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine is CC(C)(C)C1CCC(N)C(CN2Cc3ccccc3C2)C1.
What is the InChIKey of 4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is BSGCRKULJXBODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-19(2,3)17-8-9-18(20)16(10-17)13-21-11-14-6-4-5-7-15(14)12-21/h4-7,16-18H,8-13,20H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine?
4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62611169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).