1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol

C15H26N2O — CID 114249913

IUPAC1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol
SMILESCCNC1CCCc2cn(CC(O)C(C)C)cc21
InChIInChI=1S/C15H26N2O/c1-4-16-14-7-5-6-12-8-17(9-13(12)14)10-15(18)11(2)3/h8-9,11,14-16,18H,4-7,10H2,1-3H3
InChIKeySWMCCZQRHJFWPP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.49
Rot. Bonds5

About 1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol

1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol (PubChem CID 114249913) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol
PubChem CID114249913
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol
SMILESCCNC1CCCc2cn(CC(O)C(C)C)cc21
InChIInChI=1S/C15H26N2O/c1-4-16-14-7-5-6-12-8-17(9-13(12)14)10-15(18)11(2)3/h8-9,11,14-16,18H,4-7,10H2,1-3H3
InChIKeySWMCCZQRHJFWPP-UHFFFAOYSA-N
XLogP2.49
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol (CID 114249913) is 1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol is CCNC1CCCc2cn(CC(O)C(C)C)cc21.
What is the InChIKey of 1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol?
The InChIKey is SWMCCZQRHJFWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-16-14-7-5-6-12-8-17(9-13(12)14)10-15(18)11(2)3/h8-9,11,14-16,18H,4-7,10H2,1-3H3.
What are the key properties of 1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol?
1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 114249913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).