4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine

C22H46N2 — CID 155007159

IUPAC4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine
SMILESCCC1CC(CC(C)(C)N)C(C(C)CC(C)(C)N)CC1C(C)(C)C
InChIInChI=1S/C22H46N2/c1-10-16-11-17(14-22(8,9)24)18(12-19(16)20(3,4)5)15(2)13-21(6,7)23/h15-19H,10-14,23-24H2,1-9H3
InChIKeyVIUXSMCBJLQKEX-UHFFFAOYSA-N
MW338.62 g/mol
LogP5.59
Rot. Bonds6

About 4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine

4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine (PubChem CID 155007159) has the molecular formula C22H46N2 and a molecular weight of 338.62 g/mol. Its IUPAC name is 4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine.

Molecular Properties

Compound Name4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine
PubChem CID155007159
Molecular FormulaC22H46N2
Molecular Weight338.62 g/mol
Exact Mass338.37
IUPAC Name4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine
SMILESCCC1CC(CC(C)(C)N)C(C(C)CC(C)(C)N)CC1C(C)(C)C
InChIInChI=1S/C22H46N2/c1-10-16-11-17(14-22(8,9)24)18(12-19(16)20(3,4)5)15(2)13-21(6,7)23/h15-19H,10-14,23-24H2,1-9H3
InChIKeyVIUXSMCBJLQKEX-UHFFFAOYSA-N
XLogP5.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine?
The IUPAC name of 4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine (CID 155007159) is 4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine.
What is the SMILES notation for 4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine?
The canonical SMILES for 4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine is CCC1CC(CC(C)(C)N)C(C(C)CC(C)(C)N)CC1C(C)(C)C.
What is the InChIKey of 4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine?
The InChIKey is VIUXSMCBJLQKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2/c1-10-16-11-17(14-22(8,9)24)18(12-19(16)20(3,4)5)15(2)13-21(6,7)23/h15-19H,10-14,23-24H2,1-9H3.
What are the key properties of 4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine?
4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine has a molecular weight of 338.62 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine is sourced from PubChem (CID 155007159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).